Highlights of Polymer Physics (DPOLY) Talks @ APS 2023 March Meeting
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TABLE 1: Highlights of Polymer Physics (DPOLY) Talks @ APS 2023 March Meeting
| Paper | Author(s) | |
|---|---|---|
| 1 | Periodic and Aperiodic Sphere Packings: A Window Into Scale-Invariant Self-Assembly of Amphiphilic Materials Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: A zoo of low symmetry, tetrahedrally close-packed Frank-Kasper (FK) phases that mimic the structures of metals and their alloys have recently been discovered in amphiphilic … |
Mahesh Mahanthappa; |
| 2 | Thermoresponsive Ultrafiltration Membrane from Polymerization of Lyotropic Liquid Crystals Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we present the fabrication of a two-step thermoresponsive ultrafiltration (UF) membrane through polymerization of a lyotropic liquid crystal (LLC). |
Younes Saadat; Kyungtae Kim; Reza Foudazi; |
| 3 | Contrast-variation Resonant Soft X-ray Scattering for Multicomponent Soft Matter Thin Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Although small angle neutron scattering (SANS) can achieve contrast variation through synthetic deuteration in monotonic radiolabeled series, the technique is limited to bulk samples (>1 mm) because of low neutron flux, thus being inaccessible for the thin film regions of interest. Our approach to solving this issue is using contrast-variation resonant soft X-ray scattering (CV-RSoXS), which is a powerful synchrotron-based characterization tool that can produce SANS-like patterns in short (10 s) exposures of ≈100 nm thin films at 90° incidence, with high contrast due to intrinsic element and bond sensitivities. |
Dean DeLongchamp; Kristof Toth; Eliot Gann; Daniel Sunday; |
| 4 | Probing Chain Orientations in Block Copolymer Thin Films with Polarized Soft X-ray Scattering Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Block copolymers (BCPs) self-assemble into periodic morphologies with length scales between 5-100 nm, with the presence of the interface between components implying a degree of … |
Daniel Sunday; Eliot Gann; Dean DeLongchamp; |
| 5 | Defect Patterning for The Directed Self-Assembly of Block Copolymers Using Polymer Pen Nanolithography Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The PPL technique is a novel approach to precise and high throughput application of soft material features onto a surface. |
Jacob LaNasa; Kyungtae Kim; |
| 6 | Vacuum-driven Orientation of Nanostructured Diblock Copolymer Thin Films for Nanopatterning Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Herein, we demonstrate a facile method for controlled orientation of nanostructured BCP thin films. |
Aum Sagar Panda; Yi-Chien Lee; Chen-Jung Hung; Kang-Ping Liu; Cheng-Yen Chang; Gkreti-Maria Manesi; Apostolos Avgeropoulos; Fan-Gang Tseng; Fu-Rong Chen; Rong-Ming Ho; |
| 7 | Self-Healing Directed Self-Assembly of Block Copolymers for Lithographic Applications Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we utilize BCPs with A- b-(B- r-C) copolymer architecture which decouple thermodynamic and surface energy properties to allow for DSA via thermal annealing with low defectivity. |
Whitney Loo; Hongbo Feng; Ricardo Ruiz; Paul Nealey; |
| 8 | Dynamic Interfacial Fluctuations and Phase Separation Mechanisms Captured in Situ with Environmentally Controlled Atomic Force Microscopy Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Block copolymers are of broad interest to both fundamental science and technology applications, providing a platform to study phase separation and self-assembly phenomena or for applications in nanolithography and templating. Here, I present the use of environmentally controlled and high-speed atomic force microscopy (AFM) to study the dynamics of poly(styrene- block-methyl methacrylate) (PS- b-PMMA) thin films in situ above the glass transition temperatures ( T g). |
Julia Murphy; Jonathan Raybin; Moshe Dolejsi; Genevieve Ansay; Steven Sibener; |
| 9 | Seeing The Order-order Phase Transition Between Double Diamond and Double Gyroid Structures in Block Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we employ slice and view scanning electron microscopy on polystyrene-polydimethylsiloxane diblock copolymers to examine the phase transition zone between the DD and DG structures. |
Edwin Thomas; Wenpeng Shan; |
| 10 | Co-existing Nanostructures of Lamellae and Cylinders By A1BA2C Tetrablock Terpolymer Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we observed, via small-angle X-ray scattering (SAXS) and transmission electron microscopy (TEM), co-existing morphologies of lamellae and cylinders by careful control of volume fraction of each block in polystyrene- b-polyisoprene- b-polystyrene- b-poly(2-vinylpyridine) tetrablock terpolymer (S 1IS 2V). |
Hyeongkeon Yoon; Qingshu Dong; Weihua Li; |
| 11 | Competition Between Tubular Network Morphologies in Diblock Copolymer/homopolymer Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Binary blends (BBs) of diblock copolymer (BCP)/homopolymer (HP) have been shown to be a more accessible way of attaining complex morphologies like Double Gyroid (Ia3d), Double … |
Vivek Subramanian; Benjamin Greenvall; Karen Winey; Bryan Coughlin; Gregory Grason; Edwin Thomas; |
| 12 | Bio-inspired Amphiphilic Heteropolymer Dynamics at Interfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The statistical distribution of chains makes analysis of particular molecules and motifs challenging experimentally. Through molecular dynamics simulations, we can provide nanoscale analysis of individual sequences to provide insight into how these synthetic polymers respond to their environments. |
Shayna Hilburg; Tianyi Jin; Alfredo Alexander-Katz; |
| 13 | End-on Chain Orientation of Poly(3-hexylthiophene)-Containing Rod-Rod Diblock Copolymer Via Controlled Regioregularity-Induced Microphase Separation Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: We synthesized amphiphilic poly(3-hexylthiophene)-block-poly(3-(2-methoxyethoxy)methylthiophene) copolymer (P3HT- b-P3MEGT) with a regioregularity (RR) of P3HT block having 82 %. … |
Philgon Kim; |
| 14 | Microphase Segregation of Polyelectrolyte Brushes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we develop a self-consistent field theory (SCFT) which systematically includes polymer elasticity, solubility, and electrostatic interactions in a unified framework. |
Takashi Yokokura; Chao Duan; Rui Wang; |
| 15 | Electrostatic Correlation Induced Charge Inversion and Nonmonotonic Conformational Change of Polyelectrolyte Brushes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we develop a new theory which incorporates the Gaussian renormalized fluctuation theory for charged systems into the self-consistent field theory for polymers. |
Chao Duan; Rui Wang; |
| 16 | Role of Polymer Architecture and Interfacial Mixing on Ion Transport in Linear-brush Polyether-based Block Copolymer Electrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we explore the role of polymer architecture and interfacial mixing on the ion transport in linear-brush block copolymer electrolytes as a function of side-chain length of the brush block. |
Regina Sánchez; Benjamin Ketter; Joshua Mysona; Chuting Deng; Whitney Loo; Daniel Sunday; Juan De Pablo; Shrayesh Patel; Paul Nealey; |
| 17 | Effect of Ionic Strength and Salt Identity on Swelling Behavior of Weak Polybasic Brushes with Various Charge Fractions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we examine the effect of salt concentration and identity on the conformational pH-response of weak polybasic brushes with various charged monomer fractions using in-situ ellipsometry and streaming zeta potential. |
Farshad Safi Samghabadi; Shahryar Ramezani Bajgiran; Amanda Marciel; Jacinta Conrad; |
| 18 | Electrospun Nanofiber Membranes from Polyampholyte/ Poly(vinylidene Fluoride) Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we electrospun nanofibrous membranes from a random polyampholyte amphiphilic copolymer (r-PAC) blended with poly(vinylidene fluoride) (PVDF) a commercially available semi-crystalline polymer that shows excellent hydrophobic properties. |
Anuja Jayasekara; Luca Mazzaferro; Ayse Asatekin; Peggy Cebe; |
| 19 | Effects of Chemical Structure Variation and Salt Addition on The Glass Transition Behavior of Polyzwitterion/LiCl Salt Complexes Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Using temperature modulated differential scanning calorimetry (TMDSC), the glass transition process and the solid-state heat capacity of polyzwitterion (PZI) / LiCl salt complexes … |
John Thomas; Abhishek Mondal; Ayse Asatekin; Peggy Cebe; |
| 20 | Shape Asymmetry of Polyelectrolytes in Dilute Solution Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we conduct simulations of isolated polyelectrolytes and quantify their size and shape. |
Christian Aponte-Rivera; Michael Rubinstein; |
| 21 | Synthesis and Properties of Cationic Multiblock Polyaramides and Polyimides Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The copolymers containing ether linkages had increased backbone flexibility and better film properties. The multiblock copolymers demonstrate a method to produce materials with good thermal stability, strength, and flexibility, making them uniquely capable of serving as water insoluble, cationic films and membranes. |
Alison Biery; Daniel Knauss; |
| 22 | Coarse-Grained Explicit-Solvent Molecular Dynamics Simulations of Unentangled Polyelectrolyte Chains in Semidilute Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present results of explicit solvent coarse-grained molecular dynamics simulations of fully charged, salt-free, and unentangled polyelectrolytes in semidilute solutions. |
Jan-Michael Carrillo; Yangyang Wang; Rajeev Kumar; Bobby Sumpter; |
| 23 | Salt Effect on The Viscosity of Semidilute Polyelectrolyte Solutions of NaPSS Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: By extending a scaling approach to entangled solutions, we determine the packing number for chain of corelation blobs and established crossover concentration to the entangled solution regime. |
Andrey Dobrynin; Michael Jacobs; Carlos Lopez; Anish Gulati; |
| 24 | Ionization and Conformation Consistency in Weak Polyelectrolytes Near Interfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In an inhomogeneous fluid such as near an interface, these important inter- and intrachain correlations effect play a key role in the interfacial behavior which is not accounted for in current theoretical approaches. By coupling a molecular thermodynamic model for chemical reactions with the polymer density functional theory (DFT), we can incorporate these correlation effects to describe the interfacial behavior of weak polyelectrolytes in good agreement with experimental data. |
Alejandro Gallegos; Jianzhong Wu; Zhen-Gang Wang; |
| 25 | Generic Coarse-Grained Molecular Dynamics Simulations of Ion-Containing Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We study ion-containing systems starting from a generic Kremer-Grest type of model that captures monomer packing and noncrossability of chains and adding long-ranged Coulomb interactions between ions scaled by a background dielectric constant. |
Mengdi Fan; Lisa Hall; |
| 26 | Effect of Solvent-counterion Interactions on Polyelectrolyte Solution Properties Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we study how counterion-solvent interactions influence the solubility of polyelectrolytes. |
Can Hou; Carlos Lopez; |
| 27 | Molecular Insights Into The Hydration of Zwitterionic Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: By applying anti-icing coating on surfaces, we can efficiently reduce ice formation and adhesion. |
Sara Tolba; |
| 28 | Effects of Ion Solvation in A Mixture of Polar Solvent and Polymer Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The effect of the strong electrostatic field near ions dissolved in polar liquids causes substantial deviations from the standard theory of ion solvation based on linear-dielectric response theory. We consider this problem in a mixture of polar solvent and polymer by developing a polymerized Stockmayer-fluid (dipolar molecule) simulation method that accounts for the chain statistics and molecular polarization at the molecular scale. |
Issei Nakamura; Cameron Shock; Jester Itliong; Mark Stevens; Amalie Frischknecht; |
| 29 | Lithium Extraction from Brine Using Membrane-based Bipolar Electrodialysis Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we report synthesis and characterization of Li-selective CEMs for BPED. |
Benny Freeman; |
| 30 | Membranes For Clean Energy and Sustainable Environment Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The presentation will focus on key membranes application areas like H2 fuel cells, water purification, waste plastic circularity, and carbon capture, emphasizing recent developments, market and societal needs, and proposed research topics. |
Abhishek Roy; |
| 31 | Precise Separations and Ion Transport in Self-Assembled Membranes with 1-nm Scale Pores Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: As such, they enable highly selective, or precise, molecular separations and ion transport, with pore-size tunable in steps as small as 0.1 nm. We present results highlighting how these precisely-defined membranes are enabling the development of new insight regarding molecular transport under nanoscale confinement in the presence of charge, something that is poorly understood from a fundamental perspective. |
Chinedum Osuji; |
| 32 | Membrane-based Fractionation of Complex Mixtures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Polymeric organic solvent reverse osmosis (OSRO) and organic solvent nanofiltration (OSN) membranes with the capabilities of fractionating complex mixtures have recently emerged and will be the focus of this talk. Specifically, we will discuss enabling materials for this separation challenge as well as methods to estimate the fluxes of various components in a complex mixture based on a relatively small number of single component experiments or in some cases no experimental data at all. |
Ryan Lively; |
| 33 | The Role of Competitive Sorption and Plasticization in Microporous Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This presentation will introduce several classes of emerging microporous polymers and demonstrate examples of how mixture testing results in separation properties that are significantly different from pure-gas predictions. |
Zachary Smith; Pablo Dean; Jing Ying Yeo; Francesco Benedetti; Katherine Mizrahi Rodriguez; |
| 34 | Thermodynamic and Conformational Analysis of Chiral Block Copolymers in The Disordered State Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Block copolymers with one chiral block have emerged as promising candidates for materials with novel properties like photonic bandgaps and negative refractive index. Thermodynamic … |
Michael Grant; |
| 35 | Structure Determination in Bulk Films of Two-Dimensional Covalent Organic Frameworks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, bulk films made from trifunctional 1,3,5-tris(4-aminophenyl)benzene (TAPB) and difunctional terephthaldehyde (PDA) are interrogated using combined small-angle and wide-angle X-ray scattering. |
Frederick Beyer; David McLeod; Eric Wetzel; Emil Sandoz-Rosado; |
| 36 | 3D Imaging, Molecular Modeling and Graph Theory of Polyamide Membranes with Interconnected Networked Crumples Reveal Insights on Morphogenesis, Separation Performance and Mechanical Properties Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Adopting a multifaceted approach of 3D imaging, morphometry and modeling using low-dose electron tomography, atomic force microscopy (AFM) and coarse-grain (CG) simulations, we present molecular insights into the nanomorphogenesis of networked PA membranes and relate their organic solvent permeabilities and moduli to the 3D nanomorphology. |
Falon Kalutantirige; Qian Chen; |
| 37 | Organic Thin Film Transistor Based on The Organic-Inorganic Hybrid Ferroelectric Insulator Layer Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Flexible memory technologies that work in a variety of environments are now necessary due to the increased interest in flexible semiconductors and flexible displays. We employed a poly(vinylidene fluoride-co-trifluoroethylene) [P(VDF-TrFE)] thin film insulator layer with piezoelectricity, superconductivity, and ferroelectricity capabilities in this application. |
Hyowon Jang; Yongju Lee; SWARUP BISWAS; Hyeok Kim; |
| 38 | Effect of Shape and Alignment of Carbon-based Nanofillers on Quantum Tunneling Effect of Triboelectric Nanogenerators Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This research investigates the effect of carbon-based nanoparticles on PDMS nanocomposite/aluminum TENG output, considering the aforementioned factors. |
Mina Shanbedi; Alamgir Karim; Haleh Ardebili; |
| 39 | Fracture Behavior of Elastomers: A New Look Into Phenomenology Known for Over Six Decades Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: 4 We apply time-dependent, spatially resolved polarized optical microscopy to further investigate the phenomena. |
Shi-Qing Wang; Zehao Fan; |
| 40 | Multifunctional Coatings Made of Extremely Confined Molecular and Polymeric Glasses Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The properties of this new class of nanocomposites can be controlled through NP size and shape, as well as the chemical composition of the glass and NP, thus serving as promising scalable materials for multifunctional coatings and membranes. Here, we investigate the thermal- and photo-stability of these materials and demonstrate their improved bonding as adhesive layers. |
Cindy Chen; |
| 41 | In-situ Investigation of Self-assembled Block Copolymer Nanostructural Evolution During Sulfonation-based Crosslinking Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This talk will present a systematic, in-situ study to develop fundamental understanding on the nanostructure evolvement during crosslinking, where a rich interplay between domain rearrangement and kinetic morphology trapping determines the final self-assembled nanostructure. |
Anthony Griffin; Mark Robertson; Paul Smith; Alejandro Guillen-Obando; Zhe Qiang; |
| 42 | Modulating Solution Phase Behavior Through Block-Random Copolymer Sequence Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Monomer sequence in synthetic and biological soft matter has been shown to play a critical role in material phase behavior. Recent work has used coarse-grained molecular … |
Lauren Taylor; Rodney Priestley; R. Register; |
| 43 | Weak Magnetic Fields Induce Anomalous Disorder-to-order Transitions in Spherical Block Copolymer Micelle Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Via small angle neutron and X-ray scattering, we demonstrate that weak magnetic fields induce formation of highly ordered phases typically observed in analogous non-magnetized solutions at higher polymer concentrations. |
Michelle Calabrese; Grace Kresge; |
| 44 | Solution Self-assembly of T-shaped Sphere-Rod Rigid "Block Copolymers" Into Strictly Defined Onion-like, Possible Liquid Crystalline Structures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: A series of T-shaped sphere-rod amphiphilic macromolecules are studied to reveal the self-assembly behaviors of rigid block copolymers. |
Yifan Zhou; Jiancheng Luo; Jingfan Wei; Tao Wen; Stephen Cheng; Tianbo Liu; |
| 45 | Encapsulation of Phenylacetic Acid in Polymeric Nanoparticles During Polymerization Induced Self-assembly Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This approach simplifies synthesis and avoids the use of toxic organic solvents. |
Guanrui Li; Ralm Ricarte; Daniel Barzycki; |
| 46 | Atomistic Modeling of Hydration and Antibiofouling of TMAO-polymer Surfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our work thus provides a thorough understanding of hydration, protein adsorption, and anti-biofouling behavior of TMAO-derived polymer brushes. |
Pranab Sarker; Grace Chen; Md Symon Sajib; Nathan Jones; Tao Wei; |
| 47 | Manipulating Block Copolymer Morphology and Self-assembly Behaviors Through Sulfonation-induced Crosslinking Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Specifically, ordered mesoporous materials can be fabricated through converting block copolymer morphologies into tailored pore textures, and greatly benefit from the wealth of accessible morphologies. This work demonstrates the morphological evolution of a triblock copolymer system, and its implications, as it undergoes a heterogeneous crosslinking reaction in the solid state for the preparation of mesoporous materials. |
Mark Robertson; Paul Smith; Alejandro Guillen-Obando; Anthony Griffin; Zhe Qiang; |
| 48 | Exceptionally Fast Ion Diffusion in Porous Carbon Fibers Derived from Block Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we report a study of ionic liquids confined in block copolymer-based porous carbon fibers (PCFs) synthesized from polyacrylonitrile- block-polymethyl methacrylate (PAN- b-PMMA). |
Guoliang Liu; John Elliott; Naresh Osti; Madhusudan Tyagi; Eugene Mamontov; Eugene Mamontov; Lifeng Liu; Joel Serrano; Ke Cao; |
| 49 | Polymer Dynamics and The Performance of Amine Containing Polymers for Separating Carbon Dioxide from The Ambient Atmosphere Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, we demonstrate that quasielastic neutron scattering (QENS) is useful to probe dynamics before and after exposure to water and/or CO2. |
Christopher Soles; Avery Baumann; John Hoffman; Christopher Stafford; Takeshi Yamada; Kanae Ito; Craig Brown; |
| 50 | Effect of Film Thickness and Temperature on The CO2 Sorption in Poly(ethyleneimine) Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In an effort to understand fundamental aspects of CO 2 uptake and release, we proposed to study planar PEI thin films, which allows us to explore the effect of film thickness on CO 2 sorption. |
Christopher Stafford; John Hoffman; Avery Baumann; |
| 51 | Monovalent Ion Selectivity of Cellulose Acetate Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Increasing demand for lithium requires improved methods for extraction from brine. Magnesium contamination is associated with low yield in traditional production processes. … |
Paul Irving; Kevin Reimund; Everett Zofchak; Nico Marioni; Harnoor Sachar; Zidan Zhang; Benny Freeman; Venkatraghavan Ganesan; |
| 52 | Aperiodic Percolated Nanostructures in Hydrated Fluorine-free Terpolymers for Proton Exchange Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Novel terpolymers with a range of ion-exchange capacties (IEC) could be synthesized by copolymerization and varying the degree of sulfonation on pendant phenyl groups. We applied atomistic molecular dynamics simulations to explore this vast compositional space of terpolymers consisting of segments of five-carbon polyethylene, five-carbon polyethylene with a phenylsulfonic branch, and five-carbon polyethylene with a phenyl branch. |
Max Win; Karen Winey; Amalie Frischknecht; |
| 53 | Monovalent Cation Selectivity in Ion Exchange Membranes Near The Percolation Threshold Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we leverage differences in the hydrated radii and hydration free energies of monovalent cations (Li +, Na +, K +) to engineer cation exchange membranes with tunable selectivity. |
Marshall Tekell; Sanat Kumar; Yuxuan Huang; Jingchao Qin; Ngai Yin Yip; |
| 54 | Ionic Drug Transport in Charged Biosponge Polymers to Reduce Chemotherapy Toxicities Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The charge concentration and water uptake in the biosponge adsorbers are systematically changed to achieve high binding capacity and fast kinetics. We aim to understand the mechanism of ionic drug transport in these biosponge adsorbers and establish the design principles for highly selective polymers in the presence of competing species in blood. |
Hee Jeung Oh; |
| 55 | Ln(III) Selectivity in Biomimetic Ligand-appended Channels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we offer a mechanistic insight into lanthanide-lanthanide separations in angstrom scale, transmembrane channels through molecular dynamics simulations and potential mean force calculations. |
Tyler Duncan; Harekrushna Behera; Laxmicharan Samineni; Manish Kumar; Venkatraghavan Ganesan; |
| 56 | Gas Diffusion Mechanism in Two-Dimensional Lamellar Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, the authors developed a time lag method to determine the individual diffusivities of mixed gases in 2D lamellar membranes by on-line mass spectrometry. |
Musen Chen; Maxim Trubianov; Pengxiang Zhang; Qian Wang; Zelong Li; Kostya Novoselov; Daria Andreeva; |
| 57 | Effect of Surface Modification on Polymer Diffusion in Convex Lens-induced Confinement (CLiC) Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we have determined the diffusion, D, of dextran (500,000 g/mol) in Convex Lens-induced Confinement (CLiC) using differential dynamic microscopy (DDM). |
Brittany Roopnarine; Kevin Maxwell; Svetlana Morozova; |
| 58 | Fundamentals of Ion Transport in Ion Containing Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: To connect the various, disparate communities interested in polymer electrolytes, this presentation focuses on measurements and modeling of ion transport in ion containing polymers. |
Rahul Sujanani; Oscar Nordness; Seamus Jones; Benny Freeman; Rachel Segalman; |
| 59 | Gas Transport Properties of Polymer-Grafted Nanoparticles with Dense Polymer Brushes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In our work, we study the effect of increased graft density in the dry zone on poly(methyl acrylate)-grafted-silica nanoparticles via permeation and scattering techniques. |
Natalia Cislo; Robert Tannenbaum; Eric Ruzicka; Brian Benicewicz; Sanat Kumar; |
| 60 | Investigating Microstructure Formation in Block Copolymer Membranes with Dynamic Self-consistent Field Theory Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we employ dynamical self-consistent field theory to investigate the effects of various parameters such as film composition and solvent selectivity on the resulting development of the porous substructure. |
Anthony Cooper; Douglas Grzetic; Glenn Fredrickson; Kris Delaney; |
| 61 | Fragmentation Kinetics of Block Copolymer Micelles: Effect of Changing Interfacial Tension Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The present study examines the fragmentation kinetics of 1,2-polybutadiene- b-poly(ethylene oxide) block copolymer micelles in 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide-based ionic liquids to comprehend the role of the driving force for fragmentation, represented by the micelle size ratio Q/ Q eq. |
Supriya Gupta; Timothy Lodge; |
| 62 | Effect of Polymer Topology on The Self-assembly of MicellesRaquel Lopez-Rios De Castro*, Robert M. Ziolek & Christian D. LorenzBiological Physics & Soft Matter Research Group, Department of Physics,King’s College London, London, UK WC2R 2LS Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have conducted molecular dynamics simulations in which we investigte how different polymer topologies: (linear diblock, linear triblock, branched and cyclic) of poly(methyl acrylate)-poly(ethylene oxide) block polymers affect their self-assembly, which ultimately results in physical differences in between these micelles. In doing so, we combine graph theory and machine learning (dimension reduction and clustering) techniques to gain a unique insight into the self-assembly process of these different topology polymer molecules. |
Raquel Lopez-Rios de Castro; |
| 63 | Supersoft, Porous Hydrogels with Structure and Properties Reminiscent of Natural Tissue Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This research presents an exciting class of new materials, with diverse applications and an opportunity to probe the mechanisms of non-solvent induced self-assembly. |
Elisabeth Lloyd; Robert Hickey; Chao Lang; |
| 64 | Kinetically-Arrested Nanostructures from Amphiphilic Mikto-Grafted Molecular Brush Polymers in Solution Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we present results from extensive molecular dynamics simulations that explore the self-assembly behavior of amphiphilic mikto-grafted brush polymers as the solvent quality for one of the side blocks is changed by a rapid quench. |
Abelardo Ramirez-Hernandez; |
| 65 | Are Water Swollen Sulfonated Polystyrene Polyelectrolytes Slurries in Equilibrium?Molecular Dynamics Simulations Study Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Ionic aggregates affect the mechanical and transport properties of ionizable polymers and are strongly influenced by changes in their electrostatic environment that occur either … |
Shalika Meedin; Bryce Thurston; Gary Grest; Dvora Perahia; |
| 66 | Flow-induced Nematic Alignment and Nucleation Acceleration in Polymer Melts Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using rheo-optical methods we show that poly(ether ether ketone) melts of various chain lengths begin to exhibit a sudden nematic alignment at the critical shear rate beyond which shear flow accelerates nucleation. |
Ralph Colby; Arshiya Bhadu; Daniele Parisi; Jiho Seo; Jason Alexander; Benson Jacob; Alicyn Rhoades; Xiaoshi Zhang; Richard Schaake; |
| 67 | Flow-induced Configuration Microphase Separation and Crystallization of Entangled Polyethylene Under Uniaxial Extensional Flows Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we studied the same entangled PE melt under UEF via NEMD simulations and directly compared the flow response of C 1000H 2002 under PEF and UEF at similar extension rates (expressed in terms of Rouse Deborah number, De.) |
Mohammad Hadi Nafar Sefiddashti; Brian Edwards; Bamin Khomami; |
| 68 | Phase Separation in Structured Fluids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we introduce a computationally inexpensive coarse-grained molecular model of a liquid crystal that can form both nematic and smectic phases, allowing for the study of intermediate out of equilibrium states as the system goes through a phase separation process. |
Gabriel Vega Bellido; |
| 69 | Sequential Thermal and Solvent Immersion Annealing for Self-Assembly of Block Copolymer Films: Hiking The Free Energy Landscape Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we demonstrate a combinatorial DIA and TA method, where an instantaneous DIA rapidly induces weak parallel lamellar ordering with highly reduced domain sizes that rapidly transform into standard TA equilibrium domain structures when subjected to TA. |
Kshitij Sharma; Aman Agrawal; Ali Masud; John Ankner; Sushil Satija; Jack Douglas; Alamgir Karim; |
| 70 | Enzyme-induced Kinetic Control Over Self-assembly of Amphiphilic Surfactants Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Developing an effective controlled release approach would be a potential solution since it minimizes the interaction between the drug and the non-targeted sites. |
Qinyu Zhu; Douglas Tree; Nicholas Bair; Walter Paxton; |
| 71 | Coaxial Conjugated Polymer/Quantum Rod Nanowires with Preferred Quantum Rod Orientation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work provides a deep understanding of the complex and competitive assembly of polymers and nanoparticles to form sophisticated nanohybrids. |
Eunji Lee; |
| 72 | Divalent Cation-mediated Polyanion Attraction in An Aqueous Solution Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our objective is to design polyelectrolytes with higher Ca-tolerance. |
Alec Glisman; Sriteja Mantha; Zhen-Gang Wang; Decai Yu; Thomas Kalantar; Christopher Tucker; Eric Wasserman; Scott Backer; Larisa Reyes; Dipti Singh; |
| 73 | Structure of Polyelectrolyte and Multi-valent Ion Complexes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We will present our findings on the polyelectrolyte-Ca 2+ binding energetics, comment on the preferential Ca 2+ binding sites on a polyelectrolyte backbone, and discuss their impact on the backbone conformations. |
Alec Glisman; Sriteja Mantha; Zhen-Gang Wang; Decai Yu; Thomas Kalantar; Christopher Tucker; Eric Wasserman; Scott Backer; Larisa Reyes; Dipti Singh; |
| 74 | The Interplay of Polymer Structure and Solvent Ordering on The Thermodynamics of Polyelectrolyte Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We study the effect of dipole ordering on the electrostatic potential near a charged surface and the phase behavior of oppositely charged polymer solutions. |
Michael Beckinghausen; |
| 75 | The Effect of Cation-π Interactions on The Relaxation Dynamics of Polyelectrolyte Complex Coacervates Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We investigate the effect of cation-π interactions in determining the relaxation dynamics of polyelectrolyte complex (PEC) coacervates by studying their rheology in the presence of salts with different cation-π interaction strengths. |
Conner Chee; |
| 76 | Upper Critical Solution Temperature Behavior of A Strong-weak Polyelectrolyte Complex in Acid Medium Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, using turbidity and conductivity measurements, thermogravimetric analysis (TGA), Fourier transform infrared (FTIR) spectroscopy and optical microscopy (OM), we identify the phase boundaries of poly(diallyldimethyl ammonium)/poly(acrylic acid) (PDADMA/PAA) PECs at pH 3. |
Chikaodinaka Eneh; |
| 77 | Scattering Evidence of Charge Correlations in Polyelectrolyte Coacervates Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: To access charge correlations, scattering from either the polyanions or polycations exclusively is required. We have achieved this through deuterium labeling of one type of polyelectrolyte and solvent contrast matching. |
Yan Fang; Angelika Neitzel; Heyi Liang; Artem Rumyantsev; Yuanchi Ma; William Heller; Juan De Pablo; Matthew Tirrell; |
| 78 | Polyelectrolyte and Anti-polyelectrolyte Effects on Chain Conformations of Polyzwitterions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I will present our work related to characterizing the anti-polyelectrolyte effect for a polysulfobetaine using dynamic light scattering, small-angle X-ray scattering, ab initio molecular dynamics, and a uniform expansion model. |
Rajeev Kumar; Zening Liu; Yangyang Wang; Jong Keum; Kunlun Hong; Bobby Sumpter; |
| 79 | Asymmetry in Charge Density and Size in Polymer Complexation: Partially Ionizable Polyelectrolytes and Intrinsically Disordered Proteins Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present a theory which investigates the role of enthaply and entropy, and calculates the driving force, of complexation between oppositely charged polyelectrolytes which are partially ionizable and, in general, asymmetric in charge density and size. |
Arindam Kundagrami; Soumik Mitra; Souradeep Ghosh; Aritra Chowdhury; Ben Schuler; |
| 80 | Effect of Salt on Diffusion of Polyelectrolyte in Polyelectrolyte Coacervates Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we study the effect of salt (2.5 – 4.0 M NaBr) on individual diffusion coefficient of poly[sodium 4-styrene sulphonate] (PSS) and poly[(vinylbenzyl) trimethylammonium chloride] (PVBTMA) in PSS-PVBTMA coacervates using fluorescence recovery after photobleaching (FRAP). |
Suvesh lalwani; Jodie Lutkenhaus; |
| 81 | Observing Departures from Expected Diffusion Behavior in Concentrated Polyelectrolyte Solutions Using Single Particle Tracking Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We used single particle tracking (SPT) to study the effect of ion and polymer concentration on the diffusion behavior of polyelectrolyte solutions to measure the relative effects of physical and charge-based interactions using polylysine (PL). |
Harrison Landfield; Nicholas Kalamaris; Muzhou Wang; |
| 82 | Identifying The Glass Transitions and Material Properties of Polyelectrolyte Complex Materials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We propose using coacervation as an alternative, environmentally friendly, processing strategy for producing solid films of polyelectrolyte complexes by removal of salt. |
Sarah Perry; Isaac Ramírez Marrero; Rainer Gutzler; Nadine Kaiser; Bernhard von Vacano; Rupert Konradi; |
| 83 | Local Correlations and Molecular Origin of Parameters in The Transfer Matrix Theory of Coacervation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: There has been significant effort in the polymer physics community to study these materials, using a wide variety of theoretical approaches to understand the underlying physics of this phase separation phenomenon. One approach, the transfer matrix theory, maps the problem of coacervation to a one-dimensional adsorption model to keep track of its interactions with surrounding particles. |
Charles Sing; |
| 84 | Impact of Bottlebrush Polyelectrolytes on Polyelectrolyte Complex Physical Properties Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk we will address the main implications of bottlebrush polyelectrolyte architecture on PEC mechanical properties, phase and internal structure using a combination of rheology, optical microscopy and small angle x-ray scattering (SAXS) through comparisons between linear-linear, linear-bottlebrush and bottlebrush-bottlebrush PECs. |
Kaden Stevens; Matthew Tirrell; |
| 85 | Various Types of Polyampholyte Necklaces: Charge-in-Beads, Charge-in-Strings, and Hierarchical Structures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In our previous work [1], we provided scaling predictions for single-chain conformations of charge-imbalanced Markov polyampholytes in theta solvent. |
Yiheng Wu; Artem Rumyantsev; Juan De Pablo; |
| 86 | Coacervate Formation in Dilute Aqueous Solution of 2.5-nm Size Molecular Macroanions with Simple Di- or Trivalent Cations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we report a completely unique coacervate formed by a water soluble uranyl peroxide molecular cluster (Li 68K 12(OH) 20)[UO 2(O 2)-OH] 60, U 60) in the presence of only di- or trivalent countercations. |
Kexing Xiao; Yuqing Yang; Xiaohan Xu; Yifan Zhou; Jennifer Szymanowski; Ginger Sigmon; Peter Burns; Tianbo Liu; |
| 87 | Exploring The Effect of Chain Stiffness on The Amorphous Topology of Semicrystalline Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Recently, we presented a method and theoretical framework for quantifying stress transmitters, tie molecules and trapped entanglements, in semicrystalline polymers, which showed good correlation with the statistical models for a system of flexible polymers. |
Chad Snyder; |
| 88 | Role of Processing Conditions and Molecular Attributes on Melt-crystallization of Conjugated Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Overall, this work highlights a key need to report both Mw and RR in P3HT studies. |
Lucia Fernandez-Ballester; Ramin Hosseinabad; Jesse Kuebler; |
| 89 | Dependence of Critical Tie Molecule Content on Crystallinity for Semicrystalline Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We find crystallinity to be a major factor in predicting critical tie molecule content (the fraction of tie molecules needed to reach the BDT); a factor of 2 increase in crystallinity reduces the fraction of tie molecules at the BDT by an order of magnitude. |
Katherine Gunter; R. Register; |
| 90 | End Group Effect on Poly(L-lactic Acid) Crystal Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Herein we report a new group of single crystals that has broken translational symmetry. |
Shichen Yu; Seyong Kim; Christopher Li; |
| 91 | Processing-structure-property Relationships During Uniaxial Rolling and Subsequent Tensile Drawing of Polyolefin Cast Films and Composites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we examine multi-stage structure-property relationships during the solid-state orientation of polyethylene films. |
Dayne Plemmons; Joseph Lenhart; Randy Mrozek; |
| 92 | Grafting Density Effect on The Crystallization Behavior of Molecular Brushes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work provides an overview on how grafting density can affect the crystallization behavior of molecular brush systems and provides a framework for future development for semicrystalline brush copolymers. |
Jeffrey Wilk; Carl Furner; Michael Kelly; Christopher Li; Bin Zhao; |
| 93 | Free Energy Analysis of Crystal Nucleation of Semiflexible Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We look more closely at the crystallization of polymers in a melt using advanced Monte Carlo methods such as Wang-Landau sampling and expanded ensemble density of states. |
Douglas Tree; Pierre Kawak; |
| 94 | Nonisothermal Melt Crystallization Behavior of Semicrystalline Polymers Monitored Using An In Situ Fluorescence Technique Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our group has developed a new fluorescence technique for sensing semicrystalline polymers’ melting transitions by incorporating fluorescent probes into polymer matrices. |
Kailong Jin; Richard Nile; Maya Cabello; |
| 95 | The Origin of Piezoelectricity in Ferroelectric Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: One important property of ferroelectric polymers is their piezoelectricity. Despite decades of research on piezoelectric polymers, the origin of polymer piezoelectricity is still … |
Lei Zhu; |
| 96 | Shear-Induced Crystallization in Polyethylene/Polypropylene Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, the crystallization and rheological properties of high-density polyethylene and isotactic polypropylene blends are studied using a combination of the rheo-Raman microscope, differential scanning calorimetry, and electron microscopy. |
McKenzie Coughlin; Derek Huang; Anthony Kotula; Kalman Migler; |
| 97 | Perspectives of Molecular Structure, Dynamics, and Morphology for Sustainable Semicrystalline Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I present unique examples of stereoregular and irregular hydrogenated poly(norbornene) (hPNB)s 1 and their blends 2 for sustainability. |
Navin Kafle; |
| 98 | The Effect of Ligand Shell Density on The Diffusion of Nanoparticles in Hydrogel Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We found that the diffusion coefficients for particles with high ligand densities were well-predicted by the hopping model for diffusion in polymeric gels, but the diffusion coefficients for particles with low ligand densities were higher than predicted based on their D h. |
Paige Moncure; |
| 99 | Anomalous Diffusion of Smooth Nanorods in Polymer Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, coarse-grained molecular dynamics simulations on the diffusion of thin nanorods in polymer melts as a function of nanorod roughness and aspect ratio will be presented. |
Phillip Taylor; Jiuling Wang; Ting Ge; Thomas O’Connor; Gary Grest; |
| 100 | Kinetic Distribution and Dispersion of Nanoparticles in Polymer Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have adapted the random phase approximation and the van der Waals model to understand kinetic dispersion and distribution in polymer nanocomposites. |
Greg Beaucage; Kabir Rishi; Ugochukwu Okoli; |
| 101 | Scaling of Near-interface Dynamics Resolved Through Broadband Dielectric Spectroscopy with A Designed Dielectric Marker System Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we demonstrate a new dielectric marker system that can be precisely positioned at distance on the order of away from the interface. |
Shiwang Cheng; Ruikun Sun; Xiaobing Zuo; Xue-Hui Dong; |
| 102 | Understanding How Grafted Chains Create A Gradient in Local Glass Transition Tg(z) in The Athermal Polystyrene-Silica System Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We focus on a model athermal system of polystyrene (PS) matrix chains intermixed with grafted PS chains at a silica interface in a planar film geometry. |
James Merrill; Connie Roth; |
| 103 | Uncovering The Physical Mechanisms By Which Surface Bound Chains Can Increase The Local Glass Transition of Polymer Matrices Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: The presence of grafted or adsorbed chains to the surface of nanoparticles is central to our understanding of reinforcement of polymer nanocomposites. However, how these different … |
Connie Roth; James Merrill; Michael Thees; |
| 104 | Atomistic Simulation Studies of Polymer / Silica Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: The conformations and the dynamics of polymer chains in polymer/silica nanocomposites are studied through atomistic molecular dynamics simulations. Two polymers have been … |
Anastassia Rissanou; Alireza Behbahani; Albert Power; Patrycja Polinska; Craig Burkhart; Vagelis Harmandaris; |
| 105 | Glass Transition and Viscoelastic Properties of Polymer Nanocomposites with Integrated Interface Design Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this contribution, we combine chemical synthesis and interface design for new types of polymer-nanoparticle hybrids. |
Shalin Patil; Ruikun Sun; Xiaobing Zuo; Xuehui Dong; Dongdong Zhou; Shiwang Cheng; |
| 106 | Polymer Infiltration Kinetics Inside Nanoporous Gold: Effect of Molecular Weight and Polymer-Gold Interaction Energy Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, a high-filler (ca. 50 vol%) PNC is created by infiltrating polystyrene (PS) or poly(2-vinylpyridine) (P2VP) into a nanoporous gold scaffold exhibiting a bicontinuous structure with nanoscale pores. |
Weiwei Kong; Anastasia Neuman; Robert Riggleman; Russell Composto; |
| 107 | Tube Dilation in Polymer Composite Melts By Oligomer Addition Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We observed that as oligomer amount increased in composite at the unconfined state, plateau modulus and terminal relaxation time decreased, whereas entanglement relaxation increased only slightly, which led to a decrease in the apparent entanglement density. |
Yi Feng; Pinar Akcora; |
| 108 | Gelation Dynamics During Photocrosslinking of Polymer Nanocomposite Hydrogels Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Polymer nanocomposite hydrogels exhibit mechanical properties that depend on material composition and processing route. The gelation kinetics of network-forming polymer solutions … |
Michael Burroughs; Tracy Schloemer; Daniel Congreve; Danielle Mai; |
| 109 | Spatially Resolving Energy Dissipation in Molecular Dynamics of Polymer Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Despite these materials’ prevalence, the molecular mechanisms controlling this reinforcement remain poorly understood. In an effort to resolve this, here we describe a new approach to quantifying the location of dissipation in molecular dynamics simulations of nanoparticle-filled melts of bead springs. |
Pierre Kawak; Harshad Bhapkar; David Simmons; |
| 110 | Role of Growing Nanoparticle Architecture on Dewetting of Polystyrene Thin Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: While there are many reports exist on spherical nanoparticles, our understanding of the role of other complex architectures is only limited. Motivated by this lacuna, we report the dewetting dynamics of polystyrene films incorporated with CdSe nanotetrapods with variable arm lengths. |
Mithun Chowdhury; Jotypriya Sarkar; Fariyad Ali; Mithun Madhusudanan; Anindya Dutta; Sivasurender Chandran; |
| 111 | Controlled Micro- and Nanostructure in Light Driven 3D Printing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Stereolithography (SL) is highly effective for small-volume manufacturing and rapid prototyping because of its ability to create objects relatively quickly with intricate features at resolutions down to 150 µm. Widespread adoption of SL for structural applications faces several obstacles including unsuitable thermomechanical performance and anisotropic properties from network inhomogeneities. In this work, we attempt to overcome such challenges by controlling the nano/microstructure of cross-linked polymer networks in printed objects. |
Allan Guymon; |
| 112 | Dynamic 3D Printing of Bottlebrush Block Copolymer Photonics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Developing printable dynamic structure color will not only introduce new functionality that current synthetic color is not capable of, but also help address this urgent environmental issue. Towards this aim, we and collaborators developed a programmable 3D printing process that can modulate nanoscale assembly and structure color of bottle brush block copolymers on the fly. |
Ying Diao; |
| 113 | Guidelines for Controlling Defects in Embedded 3D Printing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we discuss ways to control common filament-scale defects via feedstock materials and printing parameters. |
Leanne Friedrich; Ross Gunther; Jonathan Seppala; |
| 114 | Dynamic Hydrogel Bioinks for 3D Bioprinting Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we present a protein-engineered bioink material designed to have viscoelastic mechanical behavior, similar to living tissue. |
Sarah Heilshorn; |
| 115 | Additive Biomanufacturing Towards Tissue Fabrication Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This talk will discuss our recent efforts in developing a series of advanced 3D bioprinting strategies in particular those relating to multi-material bioprinting. |
Y. Shrike Zhang; |
| 116 | Numerical Investigation of Colloid-transport in Nonpolar Solvents for Electronic Paper Displays Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Based on the gained insight, the idea of increasing the zeta potential of the substrate is proposed, which we show can significantly improve the speed at which colloidal particles migrate across the fluid cell. |
Wei Liu; Mohammad Ahmadi; Alex Henzen; Jan Groenewold; Hans Wyss; |
| 117 | Electrostatic Interactions of Colloidal Particles Straddling A Fluid-Fluid Interface Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we present a more detailed look at the electrostatic interactions between two spherical particles for arbitrary finite separations under the presence of an electric field. |
Subramaniam Chembai Ganesh; Charles Maldarelli; Jeffrey Morris; Joel Koplik; |
| 118 | Brownian Dynamics Modeling of Colloidal Assembly on Curved Interfaces Subject to Isotropic and Anisotropic Electrostatic Interactions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this research, a new Brownian dynamics algorithm is exploited to simulate microparticle dynamics on curved surfaces of arbitrary geometries that cannot be parametrized analytically. |
Nasir Amiri; Xin Yong; |
| 119 | Nucleation Around A Charged Particle in A Polar Environment Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In the first part of the work, we generalized the Thomson model to polar fluids, by assuming a well-defined liquid-vapor interface and existence of dissociated ions. |
Roni Kroll; Yoav Tsori; |
| 120 | Phase Separation of Water-in-oil Nanoscale Emulsion Using Non-Laplacian Electrostatic Field Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we demonstrate a significantly more effective electro-coalescence method based on corona discharge that drastically enhances the rate of phase separation of nanoscale emulsions and eliminates the use of toxic demulsifiers. |
Simon Rufer; Sreedath Panat; Vishnu Jayaprakash; Kripa Varanasi; |
| 121 | Electrophoresis of Ferroelectric Nematic Liquid Crystal Droplets Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we report on the electrophoresis of ferroelectric nematic (N F) liquid crystal droplets confined between two plates with a uniform alignment of the director and surrounded by an isotropic fluid. |
Mojtaba Rajabi; Oleg Lavrentovich; |
| 122 | Electrophoretic NMR Measurements of POSS-based Multivalent Electrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we perform pulsed-field-gradient (PFG) NMR and electrophoretic NMR (eNMR) measurements on a novel polyhedral oligomeric silsesquioxane (POSS)-based polyanionic electrolyte dissolved in a carbonate-based solvent. |
David Halat; Saheli Chakraborty; Julia Im; Darby Hickson; Jeffrey Reimer; Nitash Balsara; |
| 123 | Anomalous Diffusion of Lithium-Anion Clusters in Ionic Liquids Using MD Simulations and Deep Learning Analysis Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: To understand the lithium ion transport dissolved in the ionic liquids, we conducted molecular dynamics (MD) simulations consist of [PYR 14][TFSI] with added [Li][TFSI] salt. |
YeongKyu Lee; |
| 124 | Capacitance and Phase Behavior of Diluted Ionic Liquid Supercapacitors Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We study the effects of dilution on the performance of RTIL EDLCs using a simple mean-field model. |
Samuel Varner; Zhen-Gang Wang; |
| 125 | AC-electrokinetic Manipulation of Organic-inorganic Polymeric Coacervates Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: When applied ac-electric field exceed a critical value, we observe the droplet-like coacervate formation and chain-like coacervate assembly in response to dielectrophoresis (DEP) in non-uniformed ac-fields across two coplanar microelectrodes. |
Ali Hatami; Yingxi Elaine Zhu; JAMUNA VAISHNAV; |
| 126 | Impact of Ionic Surfactants on The Electrokinetic Control of Viscous Fingering: An Experimental Approach Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work we experimentally investigate the synergetic effect of an externally applied electric field and ionic surfactants on the (de)-stabilization of the interface between a more viscous perfect dielectric fluid and an immiscible, less viscous, conducting surfactant solution. |
Benedicta Nwani; Ian Gates; Anne Benneker; |
| 127 | The Coupling of Charge Regulation and Geometry in Soft Ionizable Molecular Assemblies Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This leaves a gap in the intuitive understanding of the charge regulation process. To tackle this problem, we combined X-ray scattering, molecular dynamics simulations and Poisson-Boltzmann theory to predict the degree of ionization in charged assemblies. |
Joseph McCourt; Sumit Kewalramani; Leticia Lopez-Flores; Michael Bedzyk; Monica Olvera De La Cruz; |
| 128 | Flow Around A Circular Cylinder Controlled By Asymmetric Plasma Actuation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The present study focuses on the detailed flow structure including the wall jets, the evolution of vortices, and the resultant momentum of the flow induced by the DBD actuators in order to gain more insight into flow control mechanisms under different types of actuation. |
Zihao Zhu; |
| 129 | Nanomaterials Patterning in An Extrusion-based 3D Printing Process Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we explore various strategies to integrate a broad range of forces into an extrusion-based 3D printing process. |
Samuel Hales; Jared Anklam; Yong Lin Kong; |
| 130 | Anion Conduction and Water Percolation Effects in Polynorbornene-based Thin Film Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We investigate bromide ion (Br -) transport by measuring thin film electrochemical impedance as a function of relative humidity and temperature. |
Shrayesh Patel; Zhongyang Wang; Ge Sun; Paul Kohl; Juan De Pablo; Paul Nealey; |
| 131 | Characterizing Ion Transport in Poly(Pentyl Malonate) Electrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Recently, poly(pentyl malonate) (PPM) has been identified as a homopolymer with ion transport properties comparable to PEO along with stable performance under larger applied currents than that of PEO. This study presents the full electrochemical characterization of electrolytes comprised of PPM and LiTFSI salt across a range of salt concentrations to quantify all necessary parameters to describe ion transport in these electrolytes. |
Zach Hoffman; Jaeyong Lee; Vivaan Patel; Nitash Balsara; |
| 132 | Molecular Dynamics Simulations of Structure and Ion Transport in Polymeric Zwitterionic Electrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We built model systems of polyzwitterions and studied the Li ion movement inside the system conducting all-atom molecular dynamics simulations. |
Mizuki Kamata; Douglas Grzetic; Kris Delaney; Amalie Frischknecht; Glenn Fredrickson; |
| 133 | Relationship Between Ion Transport and Phase Behavior in Acetal-Based Polymer Blend Electrolytes Studied By Electrochemical Characterization and Neutron Scattering Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The polymers covered in this study are polyethylene oxide (PEO), poly(1,3,6-trioxocane) (P(2EO-MO)), and poly(1,3-dioxolane) (P(EO-MO)). |
Jaeyong Lee; Neel Shah; Geoffrey Coates; Nitash Balsara; |
| 134 | Uncovering New Ionomer Membrane Morphology Features with Resonant X-Ray Scattering Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We examine the connections between dispersion and membrane properties. |
Gregory Su; Sintu Rongpipi; Ahmet Kusoglu; Guillaume Freychet; Ashley Bird; |
| 135 | Understanding The Role of Water Molecules and Ion Transport Mechanisms in Anion Exchange Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we develop a methodology to investigate site hopping and vehicular transport mechanisms using anion exchange thin films, interdigitated electrodes, and atomistic molecular dynamics (MD) simulations. |
Ge Sun; Zhongyang Wang; Abhishek Sharma; Shrayesh Patel; Paul Nealey; Juan De Pablo; |
| 136 | Zwitterionic Polymer Promotion of Selective Ion Transport in Ionic Liquid Electrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we perform a systematic investigation to understand the impact of the ZI/ Lithium molar ratio on the structural and dynamic properties using atomistic molecular dynamics simulations. |
Meron Y. Tadesse; Zidan Zhang; Nico Marioni; Everett Zofchak; Venkatraghavan Ganesan; |
| 137 | Effect of Hydrodynamic Interactions and Flow on Charge Transport in Redox Active Polymer Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work has improved previous models by incorporating both hydrodynamic interactions (HI) and out-of-equilibrium dynamics to resemble flow battery conditions more closely. This has been achieved using the conformationally averaged Brownian Dynamics simulation method paired with Monte Carlo. |
Dejuante Walker; Charles Sing; |
| 138 | Comparative Morphological and Dielectric Properties Measurements of Homopolymer and Block Copolymer Grafted BaTiO3 Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, surface-initiated atomic transfer radical polymerization (Si-ATRP) was used to synthesize core-shell barium titanate-poly(methyl methacrylate) (BaTiO 3-PMMA), barium titanate-polystyrene (BaTiO 3-PS) polymer grafted nanoparticle and ARGET-ATRP was used to synthesized block copolymer grafted nanoparticles (BaTiO 3-PS-b-PMMA and BaTiO 3-PMMA-b-PS). |
Ikeoluwa Apata; Maninderjeet Singh; Bhausaheb Tawade; Alamgir Karim; Dharmaraj Raghavan; |
| 139 | Mechanisms of Dielectric and Electromechanical Enhancements in PVDF-Based Tetrapolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We describe simulations of electric-field-induced structural transformations in P(VDF-TrFE) polymers with small admixtures of chlorofluoroethylene (CFE) and fluorinated alkyne (FA) monomers. |
Jerzy Bernholc; Hancheng Qin; Xin Chen; Bing Zhang; Wenchang Lu; Qiming Zhang; |
| 140 | Nano-confinement Driven Modulation of Molecular Dipole Orientation and Its Effect on Ferroelectricity and Work-function in Piezoelectric Polymer Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: 1,2 Here, we demonstrate how the nanoconfinement driven morphological modification of a model ferroelectric polymer, poly(vinylidenefluoride-trifluoroethylene) (P(VDF-TrFE) 3.4 into nanoparticles (0D), nanofibers (1D), and thin films (2D) affects molecular dipole orientation on the piezoelectric and ferroelectric capabilities. |
Zinnia Mallick; |
| 141 | Manipulating Interfaces in Polymer-nanoparticle Composites to Affect Their Energy Conversion and Storage Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Manipulating interfaces in polymer-nanoparticle composites to affect their energy conversion and storage. |
Nelson Coates; Andrew Hyslop; Nick Warren; Jennifer Heath; Amelia Schaeffer; Paige Hall; Zion Irving-Singh; |
| 142 | Impact of Lignin Nanofiller on The Water Diffusion and Ionomer Swelling Kinetics of Sulfonated Ionomer Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: For these systems, understanding the interplay between ionomer nanostructure and water/ion transport is critical to the development of more cost-effective, better performing membranes. In this investigation, we investigated the liquid water diffusion and water-induced ionomer swelling kinetics of a series of lignin-SPEEK membranes using in situ time-resolved attenuated total reflectance-Fourier transform infrared (tATR-FTIR) spectroscopy. |
Xueting Wang; Eric Davis; Mayura Silva; Stephen Creager Creager; Mark Thies; Bronson Lynn; |
| 143 | Optimizing Conductivity and Strength of Biodegradable Polymer Graphene Nanoplatelet Nanocomposites Via 3D-Printing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: For the work presented here, we chose PLA as the second polymer, which is immiscible with iPP and where the interfacial energy with GNP was much higher than that of the particles with iPP. |
Yu-Chung Lin; |
| 144 | Identifying Gas Transport Mechanisms in Polymer-Grafted Nanoparticle Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work aims to unpack the relationship between transport energies and their associated mechanisms in GNP systems. |
Robert Tannenbaum; Eric Ruzicka; Pablo Dean; Natalia Cislo; Zachary Smith; Brian Benicewicz; Sanat Kumar; |
| 145 | Alkali Halide Salt Partitioning in PEGDA Membranes Under Mixed Salt Conditions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we study how the presence of multiple salts influences salt partitioning into poly(ethylene glycol) diacrylate (PEGDA), a model membrane material exhibiting ion-specific interactions. |
Everett Zofchak; Aubrey Quigley; Jordyn Yoh; Adit Trivedi; Venkatraghavan Ganesan; Benny Freeman; |
| 146 | Modeling Adsorption and Transport Properties of Gases in Amorphous Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, molecular modeling was used to aid experimental efforts to optimize fluorinated polymer membranes for high H 2 permeability selectivity. |
Micah Welsch; Brian Laird; |
| 147 | Molecular Simulation of Gas Solution-diffusion in Polyvinylamine/polyvinyl Alcohol Blend Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, molecular dynamics (MD) and grand canonical Monte Carlo (GCMC) simulations were conducted to analyze diffusivity and solubility of carbon dioxide and nitrogen molecules in assembled PVAm/PVA membrane models. |
Kohei Sato; Daisuke Fukumitsu; Yuta Yoshimoto; Ikuya Kinefuchi; |
| 148 | Nanoscale Structure and Transport in Simulated Polyelectrolyte Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We measure both short and long-time diffusivity of counterions and water, and find that diffusivity increases with water content. |
Ritwick Kali; Scott Milner; |
| 149 | Chain End Functionalization of Polyoxymethylene Polymer Membrane for Better CO2 Separation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study we systematically study the effect of increasing the ether-oxygen content on a polymer’s performance for the separation of CO 2 from N 2 and O 2 gas. |
Yasemin Basdogan; Zhen-Gang Wang; |
| 150 | Modeling of Polyphenol Filtration By Polyethersulfone Ultrafiltration Membrane : A Classical Molecular Dynamics Study Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We studied the interactions between tannic acids (TA) and a polyethersulfone (PES) ultrafiltration membrane, using classical molecular dynamics (MD) simulations. |
Marie Certiat; Johanne Teychene; Christelle Guigui; Stéphanie Laborie; Franck Jolibois; |
| 151 | Characterizing Penetration of A Contaminant Into Block Copolymer Coatings Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Polymer coatings are critical as protective barriers and it would be beneficial to understand how the polymer properties relate to small molecule penetration into coatings. Towards this goal, we investigate how a model dye molecule penetrates into block copolymer coatings. |
Krishnaroop Chaudhuri; Riddhiman Medhi; Zhenglin Zhang; ZHUOYUN CAI; Anthony Malanoski; Brandy White; Christopher Ober; Jonathan Pham; |
| 152 | Molecular Modeling of Toxic Industrial Chemicals (TICs) in Metal Organic Framework (MOF) Filtration Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk we report on molecular dynamics calculations designed to model the dynamic behavior of TIC-MOF interactions. |
Adam Hinkle; Matthew Browe; Ivan Iordanov; |
| 153 | Impact of Dynamical Correlations on Salt Transport in Solvated Ion Exchange Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we use the framework of Onsager transport coefficients within atomistic molecular dynamics simulations to study the impact of ion-ion correlated motion on salt transport in experimentally relevant hydrated polymer membranes. |
Nico Marioni; Akhila Rajesh; Zidan Zhang; Everett Zofchak; Harnoor Sachar; Sanket Kadulkar; Benny Freeman; Venkatraghavan Ganesan; |
| 154 | Simplified Model for Penetrant Hopping Through Polymer Grafted Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we investigate the proposed mechanism of hopping by constructing a simplified hard sphere Monte Carlo model, from which activation energy trends are successfully reproduced at little computational expense. |
Willliam Marshall; Robert Tannenbaum; Sinan Keten; Sanat Kumar; |
| 155 | Shape-selective Filtration of Nanomaterials and Proteins Using Lamellar Block Copolymer-based Slit Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we demonstrate novel slit-based membranes using lamellar block copolymers by taking insights from biological membranes. |
Alamgir Karim; |
| 156 | Understanding The High Cl-/ F- Permselectivity of Random Zwitterionic Amphiphilic Copolymer (r-ZAC) Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We conducted molecular dynamics simulations to probe the transport of NaCl and NaF in r-ZAC membranes with varying pore morphologies (achieved by varying the water volume fraction). |
Harnoor Sachar; Zidan Zhang; Nico Marioni; Everett Zofchak; Venkatraghavan Ganesan; |
| 157 | Gas Transport Through Glassy Polymer Membranes from All-atom Molecular Dynamics Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we use atomistic molecular dynamics simulations to study three polymers – polymethylpentene (PMP), polystyrene (PS), and HAB-6FDA thermally rearranged polymer (TRP). |
Janani Sampath; |
| 158 | Thermodynamics of Ionic Bonding with Crown Ethers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: By using polymeric membranes functionalized with unique ligands, ions can be captured via host-guest interactions. Thus, in this work, we approach the molecular properties side of this multiscale study by performing Molecular Dynamics simulations of specific hosts—crown ethers—in aqueous solutions. |
Ramón González-Pérez; Stephen Adams; William Phillip; Jonathan Whitmer; |
| 159 | Ion Correlations and Partial Ionicities in Lamellar Phases of Block Copolymeric Ionic Liquids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: It has been hypothesized that confining ion motion to narrow channels may reduce such ion correlations and enhance the resulting ionic conductivity. Motivated by such considerations, in this study we used a multiscale simulation framework to study the dynamical ion correlations in microphase separated lamella phase of block copolymeric ionic liquids and compare with the corresponding results for homopolymeric systems. |
Zidan Zhang; Jacob Sass; Jakub Krajniak; Venkatraghavan Ganesan; |
| 160 | Dielectric Constant of A Polymerized Ionic Liquid with Rigid Side Chains Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have implemented a novel method to restrict the dipole motion by treating the dipolar, ionic sidechains as rigid bodies attached to a semi-flexible backbone. |
Cameron Shock; Mark Stevens; Amalie Frischknecht; Issei Nakamura; |
| 161 | Poly(siloxane) Derived Ionosilicone Elastomers Reveal Role of Backbone Dynamics in Ionic Double Layer Formation Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Poly(siloxane) ionic liquids (PSILs) are a group of single-ion conducting polymers in which a weakly coordinating ion is covalently bonded to a siloxane backbone. The highly … |
Owen Lee; Matthew McBride; Ryan Hayward; |
| 162 | Influence of Poly(methyl Methacrylate) Inclusion on Ion Dynamics and Conduction Mechanism of Imidazolium Ionic Liquids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we analyzed the dielectric relaxation, activation energy and frequency-dependence of ionic conductivity of PMMA containing imidazolium ionic liquids. |
Ruhao Li; Pinar Akcora; |
| 163 | Ion Transport in Polymer Electrolytes: Effect of Glass Transition Temperature Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our results hint towards a temperature-salt concentration superposition of the ionic conductivity. We will present possible implications of this finding and its relation to the glass transition temperature. |
Alexandros Tsamopoulos; Zhen-Gang Wang; |
| 164 | Ion Transport in Single Anion Conducting Polymer Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our work may provide a guide in design polymer electrolytes for ion-transport applications, including polymer electrolytes for electrochemical energy storage. |
Chen Chen; Christopher Evans; Paul Braun; |
| 165 | Swelling and Nonlinear Deformation of Polyelectrolyte Gels in Salt Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The presence of salt ions results in an exponential screening of the electrostatic interactions and a significant reduction of the osmotic effect of counterions, suppressing PG swelling ability. To quantify this effect as well as strand nonlinear deformation in PGs, we performed coarse-grained molecular dynamics simulations of the swelling and biaxial deformation of a polyelectrolyte gel film immersed in a salt solution. |
Zilu Wang; Michael Jacobs; Yuan Tian; Andrey Dobrynin; |
| 166 | Entropic Penalty Governs Solvation Site Formation and Ion Transport Mechanisms in Mixed Polarity Copolymer Electrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work elaborates on how thermodynamic driving forces govern solvation site formation and Li + transport in mixed SPEs containing microscopic interfaces. |
Chuting Deng; Peter Bennington; Regina Sánchez; Shrayesh Patel; Paul Nealey; Juan De Pablo; |
| 167 | Understanding The High Cation Transference in Poly(pentyl Malonate) Electrolyte Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: The development of new battery electrolyte rests on the molecular level understanding of ion transport. The recently synthesised poly(pentyl malonate) (PPM) electrolyte exhibits … |
Chao Fang; Rui Wang; |
| 168 | Characterization of SEO/LiTFSI Electrolytes By Electrochemistry and X-ray Scattering at High Salt Concentrations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The limiting current then plateaus between concentrations of r = 0.25 and r = 0.50. Here we aim to explain this behavior using small angle x-ray scattering (SAXS) to probe morphology changes and wide angle x-ray scattering (WAXS) to study crystallization behavior surrounding this drop in limiting current. |
Lily Gido; |
| 169 | Changes in The Order-to-disorder Transition in Salt-doped, Polar Block Copolymer Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we use coarse-grained polymer models to study the order-to-disorder transition (ODT) in a series of block copolymers with a dielectric mismatch between the blocks in the presence of charges. |
Colin Gillespie; Robert Riggleman; |
| 170 | Complex Spherical Phases in A Zwitterion-tethered Diblock Copolymer Melt Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, the Frank-Kasper A15 phase is observed, preceded by other metastable micellar phases, in two zwitterion-tethered diblock polymers of differing charge fraction, both characterized with higher molecular weight (> 15 kDa) than what is commonly observed in complex spherical assemblies. |
Bradley Grim; Frederick Beyer; Matthew Green; |
| 171 | Conformational Study of Polyelectrolytes Under Solvophilic and Solvophobic Conditions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The scaling theory for polyelectrolyte solutions 1 predicts the conformation of polyelectrolytes under different conditions. |
Anish Gulati; Carlos Lopez; |
| 172 | Understanding Molecular Packing Within Ionomer Domains of Materials Characterized By Small Angle Scattering Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Analytical model fits or computational approaches like CREASE [2] are needed to link the ionomer peak in SAXS profiles to hydrophilic ionomer domain sizes and shapes. To elucidate the molecular packing within the domains that give rise to the ionomer peak, we are conducting dissipative particle dynamics (DPD) simulations; this talk will present these simulation results. |
Jason Madinya; Arthi Jayaraman; |
| 173 | Molecular Dynamics Simulation of Nanocomposite-Polyelectrolyte Hydrogels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Thus, we use molecular dynamics (MD) simulations to investigate the effect of charge distribution on the gelation of our system and related properties including viscosity; network formation; cluster geometry; and polymer adsorption onto filler particles. |
Shoumik Saha; Dilip Gersappe; |
| 174 | New Computational Tools to Address A Hard Non-equilibrium Problem: Crystallization of Polyethylene Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, a practical method is presented that accounts for the effects of short- and long-chain branching on rheological properties of commercial polyethylene through use of an optimal ensemble of chains, that can be used to predict chain orientation in a processing flow such as film blowing. |
Ronald Larson; |
| 175 | Single Polymer Dynamics of Ring-Linear Blends and Entangled Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I will discuss our group’s recent work in extending the field of single polymer dynamics to architecturally complex polymers such as rings, in addition to entangled solutions of linear chains in flow. |
Charles Schroeder; |
| 176 | Developing A Qualitative Chain-level Description of Polymer Mechanical Properties Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We will describe the concept of crystalline chain network (CCN), suggest that predrawing of semicrystalline polymers can result in GC envisioned previously for glassy polymers, and show why molecular strategies such as strain-induced nano-confined crystallization preserves CCN to render certain sustainable polymers such as poly(lactic acid) superbly ductile and strong. |
Shi-Qing Wang; Travis Smith; Chaitanya Ramanand Gupta; Zehao Fan; Asal Siavoshani; |
| 177 | Initial Solvent Induced Non-Equilibrium Effect of Polymer Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I am going to share our recent research outcomes on how the initial dispersing solvent can induce different structures and properties of PNCs. |
So Youn Kim; Sol Mi Oh; |
| 178 | Atomistic Simulation of Microphase Separation and Flow-induced Crystallization Above The Melting Point of Entangled Polymers Under Elongational Flow Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This presentation will focus on recent work in the MRAIL Group at the University of Tennessee consisting of united-atom simulations of entangled polyethylene solutions and melts of linear C 1000H 2002 undergoing both planar and uniaxial elongational flow. |
Brian Edwards; |
| 179 | Effects of Microstructure on The Stretchability and Retractability of A Multicomponent Hydrogel Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have synthesized gels with both hydrophilic and hydrophobic components, and we will present the effect of gel microstructure, particularly that of hydrophobic components, on their mechanical properties. |
Santanu Kundu; Anandavalli Varadarajan; |
| 180 | Influence of Spatial and Topological Heterogeneities on Gel Point and Network Structure Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We use different methods to generate model networks of crosslinked polymer chains in silico. |
Antonia Statt; |
| 181 | Investigating The Relationships Between Composition, Processing, and Mechanics in PEGDA-PEGMEA Hydrogels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we systematically study a series of hydrogels based on PEGDA and monofunctional poly(ethylene) methyl ether acrylate (PEGMEA) with different molecular weights and precursor weight fractions, while maintaining a constant mole ratio between the two monomers. |
Yongkui Tang; Michal Levin; Olivia Long; Claus Eisenbach; Noy Cohen; Megan Valentine; |
| 182 | Increasing The Poroelastic Diffusion Coefficient in Hydrogels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Through the prefactors of the scaling relationship, we provide insight on how to improve the poroelastic diffusion coefficient, paving the way for improved gels for water harvesting. |
Yiwei Gao; H. Jeremy Cho; |
| 183 | Relaxation Dynamics in Complex Coacervate Core Hydrogels: Charge Block Length Asymmetry Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we investigate the effect of chain length asymmetry on the hydrogel relaxation dynamics using dynamic mechanical analysis. |
MoonChul Ryu; |
| 184 | Cluster Number and Size Distributions Near The Gel Point Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we present the cluster statistics simulated with a hybrid MC/MD model, over a wide range of molecular weights, all falling into the narrow gelation window. |
Douglas Li; |
| 185 | Unveiling The Effects of Molecular Topology on The Flow Property of Entangled Polymers Under Gelation Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: As the applications for crosslinked polymers continue to expand, understanding the evolution of their microstructures becomes imperative to produce materials with the desired … |
Weizhong Zou; Keith Husted; Jeremiah Johnson; Bradley Olsen; |
| 186 | Universal Phase Behavior of Reversible Polymer Gels Under Mean Field Theory Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present a new field-based model of reversible polymer gels in solution that utilizes recently developed Coherent States (CS) approaches. |
Daniel Vigil; Kris Delaney; Glenn Fredrickson; |
| 187 | Swelling and Residual Bond Orientations of Polymer Model Gels: The Entanglement-Free Limit Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We investigate the swelling of polymer model networks prepared at different polymer volume fractions and in solvents of different quality. |
Michael Lang; Reinhard Scholz; Lucas Löser; Carolin Bunk; Nora Fribiczer; Sebastian Seiffert; Frank Böhme; Kay Saalwaechter; |
| 188 | Imaging Gel Networks By In Situ Transmission Electron Microscopy Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Visualizing polymer gel networks at the nanoscale remains an immense challenge. Transmission electron microscopy (TEM) can be performed on chemically and cryogenically stabilized … |
David Hoagland; Satyam Srivastava; Alexander Ribbe; Thomas Russell; |
| 189 | The Effects of Small Molecule Acids on PAAMPSA/PANI Systems Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: On the opposite hand, functional groups with increased hydrogen bonding tend to increase mechanical properties, as well as allow for autonomous self-healing. By increasing our understanding of the impact these various dopants have on the properties of the strain sensor, we can tailor the usage of these small molecule dopants as we try to increase the sensitivity and conductivity of our sensor for usage in biosensing and kinesiological monitoring applications. |
Colton Duprey; |
| 190 | Surface Gel Dynamics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we use Differential Dynamic Microscopy (DDM) paired with Confocal imaging and Dynamic Light Scattering (DLS) to study the network motion of Poly Vinyl Alcohol (PVA) gels and Hyaluronic Acid (HA) gels at heights ranging from 0 – 1000 nm away from a surface. |
Sujata Dhakal; Svetlana Morozova; |
| 191 | Understanding The Fundamental Mechanism of Solute Diffusion in Block Copolymer Organogels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Following a brief overview on how diffusivity values were determined, this presentation will interpret their trends using solute-in-gel diffusion theory. |
Kenneth Mineart; |
| 192 | Structural Relaxation of Dynamic Formation of Clustering Within A Extracellular Matrix, A Simulation Model of Articular Cartilage Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Articular cartilage is a composite hydrogel found in animal and human joints, which exhibits unique load-bearing properties that have been challenging to reproduce in synthetic materials and model in molecular dynamics (MD) simulations. We developed a coarse-grained model of a composite hydrogel as a biomimetic model to investigate its unique load-bearing properties. |
Alexandros Chremos; Jack Douglas; Peter Basser; Ferenc Horkay; |
| 193 | Gelation and Multiple Macrophase Transitions in Dilute Aqueous Solutions of Nanoscale Hydrophilic Macroions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We observe a series of macrophase transitions in their dilute aqueous solutions (as low as 0.5 mM) involving solution, gel, coacervate and precipitation phases in the presence of di- or trivalent cations (Y 3+, Sr 2+…), by using two uranyl peroxide (U 60 60- and U 24Pp 12 48-) molecular clusters as models, suggesting that soluble ions could possess unexpected rich phasal behaviors. |
Xiaohan Xu; Yuqing Yang; Yifan Zhou; Kexing Xiao; Jennifer Szymanowski; Ginger Sigmon; Peter Burns; Tianbo Liu; |
| 194 | Bead Encapsulation and Ejection from Droplet for Solid-Phase Synthesis Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, this has remained challenging from a physical sample handling standpoint due to the inability to move individual beads across the droplet-medium interfaces. Here, we show the electric field assisted encapsulation and ejection of individual hydrophobic beads from aqueous microdroplets and describe its operation as a voltage dependent change in the electrofluidic potential energy of the system. |
Punnag Padhy; Mohammad Zaman; Michael Jensen; Yao-Te Cheng; Ludwig Galambos; Ronald Davis; Lambertus Hesselink; |
| 195 | Inverse Solution for High Fidelity Shaping of Slender Liquid Films By Electrohydrodynamic Patterning Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Electrohydrodynamic patterning describes a technique whereby a slender liquid film is deformed into complex shapes by application of a strong transverse electric field pattern and then solidified in-situ. |
Yi Hua Chang; Sandra Troian; |
| 196 | Studying The Influence of Temperature on The Emission of Ions from A Nanoscale, Electrified Meniscus Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk we describe a study of the ion emission process. |
Brandon Pugnet; Jackson Moore; Nicholas Drachman; Derek Stein; |
| 197 | Electrohydrodynamic Simulations of Self-Similar Cuspidal Formations Relevant to Liquid Metal Ion Sources Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we present results based on finite element modeling of electrified films coating a solid needle which reveal formation of liquid conformations not previously reported. |
Cheolmin Im; Sandra Troian; |
| 198 | Explosive Emulsification Induced By An Electric Field Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We explore the behavior of explosive emulsification of a droplet of an aqueous dispersion of carboxy-functionalized nanoparticles (NPs) immersed in a toluene solution of triamine-modified polystyrene (PS-triNH 2), a cationic surfactant under a dc electric field. |
Zachary Fink; Xuefei Wu; Thomas Russell; |
| 199 | Controlling Morphology in Electrosprayed Methylcellulose Nanowires Via Nanoparticle Addition Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we explored MC ESD loaded with nanoparticles of various shapes and uncovered the effects of particle fillers on morphology evolution using coarse-grained simulations and physical experiments. |
Xin Yong; Jonathan Blisko; Michael Grzenda; Rachel Vladimirsky; Christopher Shuck; Jonathan Singer; |
| 200 | Characteristics of Dry and Semi-dry Electrospray-printed Polymeric Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Dry, particulate films are formed when the solvent completely evaporates, while for incomplete evaporation, residual solvent is delivered with the print material to create a dense film. We report on the microstructural differences of these two print regimes defined as dry and semi-dry electrospray printing. |
Bryce Kingsley; Paul Chiarot; |
| 201 | Effects of Solvent Conductivity on The Self-Limiting Electrospray Deposition (SLED) of Polymer Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, the effects of solvent conductivity on SLED polystyrene films are evaluated. |
Robert Green-Warren; Noah McAllister; Maxim Arkhipov; Jonathan Singer; |
| 202 | Same-Polarity Biasing to Tune Thickness of Self-Limiting Electrospray Deposition Coatings Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We sprayed silicon wafer samples held at varying levels of applied voltage with SLED polystyrene coatings and used microscopic reflectometry to measure the resulting densified thicknesses. |
Ayman Rouf; Jonathan Singer; Michael Grzenda; |
| 203 | Structural Design of Electrospun Ceramic Nanofibers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The presentation will focus on creation of nanofibers with diverse surface and inner structures from variety of materials. |
Gideon Grader; |
| 204 | Chitosan and Citric Acid Thin Films As Renewable Compatibilizing Pretreatments for Self-Limiting Electrospray Deposition Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The same technique demonstrated potential for applicability to complex surfaces, such as those produced by AM or non-woven polypropylene fabric, and can be integrated into roll-to-roll continuous manufacturing. |
Zainab Abd Al-Jaleel; Weronika Wasniowska; Ayman Rouf; Jonathan Singer; |
| 205 | Electrohydrodynamics of Complex Emulsions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Electrohydrodynamics of droplets immersed in an immiscible carrier fluid were first explored in a pioneering paper by G. I. Taylor who formulated the weakly conducting or leaky dielectric model and predicted the steady drop shape in the small-deformation limit. |
Majid Bahraminasr; Anand Yethiraj; |
| 206 | Targeted Functional Methylcellulose-nanocomposite Materials Via Self-limiting Electrospray Deposition Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: For this study, we use 2D Ti3C2 MXene of two different sizes as well as spherical ITO in MC composite sprays. |
Rachel Vladimirsky; Jonathan Singer; |
| 207 | Concentration-superposition Meets The Challenge of Validating Very Large Rings Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Synthesis strategies that produce rings of Z w >> 15 confront the difficulty of proving that there are <1% linear chain contaminants. This talk deals with such a case: putative rings produced by Reversible Radical Recombination Polymerization (R3P) up to Z w = 300· M e,lin. |
Julie Kornfield; Gregory McKenna; Judit Puskas; Dongjie Chen; |
| 208 | Uniaxial Elongational Flow of Ring-Polymer Melts with Associating Groups Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Recent studies of effects of uniaxial extensional flows on linear polymers, driven by polymer processing challenges, have raised several fundamental questions regarding the impact … |
John Bracewell; Supun Mohottalalage; Dvora Perahia; Gary Grest; Thomas O’Connor; |
| 209 | Entanglement Length Scale Separates Threading from Branching of Unknotted and Non-concatenated Ring Polymers in Melts Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In contrast threadings, penetration of a ring through the surface of another ring, are neglected by theories but recent works show that they are present and may be fundamental for the dynamics of such systems. In this work, we reconcile this dichotomy using Monte-Carlo simulations of the ring melts with different bending rigidity. |
Mattia Alberto Ubertini; Jan Smrek; Angelo Rosa; |
| 210 | Statics of Diblock Ring Polymers in Lamellar Phase: A Study Combining Molecular Simulations and Scaling Analysis Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Ingenious synthesis and precise characterization of non-concatenated ring polymers propel the idea of using polymer topology as a new pathway to achieve desirable nanostructures … |
Andrew Wijesekera; Ting Ge; |
| 211 | AFM Investigation of Topological and Physical Properties of Kinetoplast DNA Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, linked-ring structures are extracted from the kinetoplasts by dissolving the networks using restriction enzymes and scanned with an Atomic Force Microscope (AFM). |
Maria Maalouf; Ryan Blair; Alexander Klotz; |
| 212 | Entropy of Insertion, Not Pore Jamming, Controls Polycatenane Translocation Dynamics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This talk will discuss the translocation dynamics of a polycatenane passing through a small nanopore under an external driving force using Langevin dynamics simulations. |
Zifeng Wang; Mesfin Tsige; Robert Ziolek; |
| 213 | Effect of Rings Stiffness and Steric Interactions on The Static and Dynamics of Linear Catenanes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using molecular dynamics, we study how the bending rigidity of the constituent rings affects the static and dynamics of isolated, interacting, and spatially-confined linear catenanes. |
Pietro Chiarantoni; Cristian Micheletti; |
| 214 | Theta-Temperature Depression in 2-catenane Polymer Investigated By Simulation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have investigated the effect of having two rings in the theta temperature of 2-catenane polymer, a molecular architecture consisting of two mechanically interlocked ring polymers. |
Hao Guo; Kun Qian; Mesfin Tsige; |
| 215 | A New Method for Characterizing The Structure of Knotted Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this contribution a method that is able to capture the relevant properties of the structure of knotted polymer rings in a solution will be presented. |
Franco Ferrari; Luca Tubiana; Neda Abbasi Taklimi; Marcin Piatek; |
| 216 | Tuning Pore Size in Block Copolymer Thin Film for Ultrafiltration Applications Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, the self-assembled domain size in polystyrene-block-poly(4-vinylpyridine) (PS-b-P4VP) thin films was controlled by blending P4VP homopolymers that selectively segregate to minority domains; the effect of homopolymer molecular weight and mass fraction on self-assembled domain orientation and pore size after homopolymer removal by selective solvents were investigated. |
Beatrice Bellini; Beatrice Bellini; Semih Cetindag; Jasmine Willard; Sanat Kumar; Gregory Doerk; |
| 217 | Antibacterial Properties of Nanostructured Surfaces Via The Selfassembly of Block Copolymers: (I) Effects of Surface Interactions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we report synergistic nanostructured surfaces combining bactericidal and bacteria releasing properties against Escherichia coli ( E. coli, a Gram-negative bacterium) and Listeria monocytogenes (L. monocytogenes, a Gram-positive bacterium). |
Maya Endoh; Daniel Salatto; ZHIXING HUANG; Todd Benziger; Jan-Michael Carrillo; Yashasvi Bajaj; Aiden Gauer; Ruipeng Li; Mikihito Takenaka; David Thanassi; Tad Koga; |
| 218 | Antibacterial Properties of Nanostructured Surfaces Via The Self-assembly of Block Copolymers: (II) Effects of Surface Morphology Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we develop synergistic surfaces combining bacteria-releasing and bactericidal properties against Escherichia coli (a Gram-negative bacterium) and Listeria monocytogenes (a Gram-positive bacterium). |
Aiden Gauer; Daniel Salatto; Tadanori Koga; Maya Endoh; ZHIXING HUANG; Todd Benziger; Mikihito Takenaka; David Thanassi; David Witdorchic; |
| 219 | Comparing Polyelectrolyte Complexes Formed from Linear Polycations and Linear, Star, and Bottlebrush Polyanions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Polyelectrolyte complexes form by the interactions between linear polyanions and polycations systems have been the subject of much research. |
zichen jin; |
| 220 | Excluded Volume Tunes Water Diffusivity Near Non-polar Surfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work uses versatile sequence-defined polypeptoids to demonstrate that water behavior can be tuned near polymeric surfaces. |
Audra DeStefano; Songi Han; Rachel Segalman; |
| 221 | Unraveling Metastable Nanostructures of Isotactic Polypropylene on Solids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The key to breakthroughs in such advanced polymer-based technologies is a better understanding of a solid-polymer melt (SPM) interface which determines their stability/reliability and properties/functionalities. In this talk, we focus on substrate-induced heterogeneous nanostructures of semicrystalline polymers that exist on solid surfaces even above the bulk melting temperatures. |
ZHIXING HUANG; Mashrup Anon; Ruipeng Li; Maya Endoh; Tad Koga; |
| 222 | PH-Mediated Size-Selective Adsorption of Gold Nanoparticles to Polymer Brushes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we demonstrate that a weak polyelectrolyte brush can be used as a functional surface to selectively adsorb nanoparticles according to their size by adjusting the pH of the buffer solution. |
Ye Chan Kim; Russell Composto; Karen Winey; |
| 223 | Durable Superhydrophilic Coatings Via Surface-initiated Photopolymerization Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: For this work, we describe new chemistries to engineer durable superhydrophilic polymer brush films that provide anti-fogging properties. |
Christian Pester; Michele Fromel; Yen-Ting Lin; Seong Kim; |
| 224 | Nucleation of A Double Diamond Twin Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Many twin boundary (TB) defects are found in the tubular network double diamond (DD) phase, suggesting these are readily formed, low energy structures. The DD phase consists of … |
Wenpeng Shan; Edwin Thomas; |
| 225 | Interface Modification with (co)polyethers: Surface-initiated Polymerization and Grafting Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Furthermore, these polymerization methods are oftentimes not compatible with facile surface modification. In this talk, I will discuss recent efforts my lab has made in the synthesis of polyethers with tunable properties and how we have placed these polyethers at interfaces to enhance properties. |
Robert Ferrier; |
| 226 | Machine Learning Driven Calculation of Hydrogen Bonding Inside Densely Grafted Polyelectrolyte Brush Layers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: For example, while defining the water-water hydrogen bonds (HBs) inside the brush layer, it is often disregarded that these HBs will behave differently between locations outside and inside the brush layer since water connectivity is severely disrupted inside the brush layer. Here we address this gap and present the use of an unsupervised machine learning (ML) approach, which is based on clustering algorithm and uses the all-atom MD simulation generated equilibrium coordinates of the water molecules as input, to predict the water-water HBs inside cationic and anionic PE brush layers. |
Siddhartha Das; Turash Pial; Arka Bera; |
| 227 | Multiscale Modeling of Grain-boundary Motion in Cylinder-forming Block Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using the combination of (i) a soft, coarse-grained, particle-based model, (ii) a free-energy functional, and (iii) a lattice model of local, metastable states, we study the structure and motion of a grain boundary between two orthogonal grains of cylindrical domains in asymmetric block copolymers. |
Marcus Mueller; Niklas Blagojevic; |
| 228 | Polymer Physics Prize Winner: Toughening Hydrogels with Sacrificial Bonds Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Hydrogels are a class of soft materials composed of cross-linked polymer networks and abundant water. Due to their rubbery nature, conventional hydrogels lack an energy … |
Jian Ping Gong; |
| 229 | A Molecular Picture of Elastomer Fracture Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In threshold conditions the molecular model of Lake and Thomas predicts that when a network breaks, the minimum amount of energy dissipation is due to the breakage of chemical bonds crossing the fracture plane over a thickness of the order of the mesh size, and each broken strand frees an energy which evolves linearly with the strand’s length. |
Costantino Creton; |
| 230 | Three Faces of Polymer Entanglements Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Since the potential cannot store any energy upon network deformation, the diameter of the confining tube and the conformations of network strands change non-affinely with macroscopic deformation. In contrast, the pairwise entanglements model and the primitive path analysis based on it identify topological restriction between a pair of chains (similar to slide-rings locally holding these two chains together). |
Michael Rubinstein; Danyang Chen; Sergey Panyukov; Tetsuya Yamamoto; Liel Sapir; |
| 231 | Tough and Rapidly Recoverable Polymer Gels: Self-Reinforcement By Strain-Induced Crystallization Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, we propose a damageless reinforcement strategy to realize tough and instantly recoverable hydrogels utilizing strain-induced crystallization (SIC) [2]. |
Koichi Mayumi; |
| 232 | Tanglemer: A Polymer Network in Which Entanglements Greatly Outnumber Crosslinks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The deconcentration of tension leads to high toughness, strength, and fatigue resistance. This talk describes methods to prepare highly entangled networks, as well as the mechanical behavior of such networks. |
Zhigang Suo; |
| 233 | Experimental Test of Heterogeneous Rouse Model for The Origin of Time-Temperature Superposition Breakdown Near The Glass Transition Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our group recently proposed a Heterogeneous Rouse Model (HRM) that explains this effect based on the presence of a distribution of relaxation times. Here, we report on extensions of this model to predict multiple linear-regime rheological properties such as complex modulus and creep, and we compare these predictions to new experimental data combining dielectric spectroscopy and rheological measurements. |
Peijing Yue; David Simmons; |
| 234 | Extensional Viscosity of Associative Polymers and Their Mixtures with Spherical Polymer Micelles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using the analysis of elasto capillary (EC) thinning, we show that the molecular extensibility of associative polymers decreases as compared for the non-associative OCP with the same molecular weight. |
Eugene Pashkovski; |
| 235 | Dynamics of Associative Polymers with High Density of Reversible Bonds Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: For more than 30 years, the understanding of associative polymers is that reversible bonds change the shape of linear viscoelastic spectra by adding a plateau in the intermediate frequency range, at which reversible bonds have not yet relaxed and act as crosslinks. We show this molecular picture is incorrect for homogenous associative polymers carrying high density of stickers. |
Myoeum Kim; Shifeng Nian; Shalin Patil; Siteng Zhang; Quan Chen; Mikhail Zhernenkov; Ting Ge; Shiwang Cheng; Liheng Cai; |
| 236 | Entanglements Via Slip-Springs with Soft, Coarse-Grained Models for Systems Having Explicit Liquid-Vapor Interfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present a Slip-Spring (SLSP) model capable of describing the dynamics of entangled polymers at interfaces, including explicit liquid-vapor or liquid-solid interfaces. |
Ludwig Schneider; Juan De Pablo; |
| 237 | Transition from Collective to Pairwise Entanglements Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Polymer entanglements have traditionally been modeled in two different ways, either using a collective mean-field confining potential that restricts fluctuations of network strands to confining tubes or by discrete pairwise interactions between chains. We discovered a connection between these two qualitatively different descriptions and proposed a method of obtaining affine length scale of deformed entanglement strand from the decay rate of the correlation function of bond vectors. |
Danyang Chen; Liel Sapir; Michael Rubinstein; |
| 238 | Surface Structure, Mechanics and Rheology of Amphiphilic Polymer Conetworks on Different Length Scales Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: For this purpose, topology and near surface structure are studied with atomic force microscopy (AFM). |
Kevin Hagmann; Nora Fribiczer; Sebastian Seiffert; Carolin Bunk; Frank Böhme; Regine von Klitzing; |
| 239 | Entanglement Metric and Percolation Threshold in Cellularized Tangles Under Stretch Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: AFs and MTs turnover quickly and form mechanically stable networks through crosslinking, whereas IFs are weakly crosslinked and turnover very slowly. Based on these features, we hypothesize that IFs can form stable tissue-wide networks thanks to physical entanglement. |
Marco Pensalfini; Marino Arroyo; |
| 240 | Motor-free Contractility in Light-controlled In-vitro Protein Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we are presenting a simple in-vitro motor-free model system capable of producing contractile structures. |
Tuhin Chakrabortty; Xiangting Lei; Jerry Honts; Saad Bhamla; |
| 241 | Coronavirus Peplomer Interaction Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: These peplomers, identically charged, repel one another over the surface of their convex capsids to form beautiful polyhedra. We identify the edges of these polyhedra with the most important peplomer hydrodynamic interactions. |
Mona Kanso; |
| 242 | Connecting The Anomalous Rheology of Poly(2-vinylpyridine)/Octa(aminophenyl)silsesquioxane to Intermediate Polymer Relaxations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The insights obtained in this study will be crucial to establishing property-processing rules for the next generation of nanocomposite materials. |
Walter Young; Reika Katsumata; |
| 243 | Core-Shell Gyroid in ABC Bottlebrush Block Terpolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we systematically explore the phase behavior of poly(ethylene- alt-propylene)- b-polystyrene (PEP-PS) diblock and PEP-PS- b-poly(ethylene oxide) (PEP-PS-PEO) triblock bottlebrush polymers prepared by ring-opening metathesis polymerization (ROMP). |
Shuquan Cui; Bo Zhang; Liyang Shen; Frank Bates; Timothy Lodge; |
| 244 | Atomistic Molecular Dynamics Simulations of Cyclic Bottlebrush Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using atomistic molecular dynamics simulations we investigate cyclic poly(vinyl alcohol)-graft-poly(ethylene oxide) BBPs (c-PVA-g-PEO) and focus on the side chain length effect. |
Guang Chen; Elena Dormidontova; |
| 245 | Diffusion of Linear and Star Polyacids in Solution and Multilayer Assemblies Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: As a result, two regimes and a crossover salt concentration were identified, with LPMAA diffusing faster than sPMAA at low salt concentrations, and the opposite order of diffusion rates at higher salt contents. Possible contribution of the ionic-bonding-induced entanglements to this phenomenon will be discussed. |
Aliaksei Aliakseyeu; John Ankner; Svetlana Sukhishvili; |
| 246 | Dynamics of Circular Macromolecules: Evidence of Rubber-like Behavior at High Z-numbers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: It is also known that addition of relatively small amounts of linear chain can lead to the development of a rubbery plateau, but one that is lower than that of the linear counterpart. In the present work, we explore this phenomenon in two series of experiments. |
Gregory McKenna; Julie Kornfield; Sourya Banik; Dongjie Chen; Dejie Kong; Judit Puskas; Kristof Molnar; Hojin Kim; |
| 247 | Can Linear Block Copolymers Stabilize Perpendicular Lamellae in Linear-cyclic Block Copolymer Blend Films? Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we use dissipative particle dynamics (DPD) simulations to study the relative stability of perpendicular (vs. parallel or mixed) lamellae of cyclic and linear BCPs. |
Rahul Kumar; Wenqi Yang; Julie Albert; Henry Ashbaugh; |
| 248 | Investigation of The Self-Assembly Behavior of Statistical Bottlebrush Copolymers Via Self-Consistent Field Theory Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we employ self-consistent field theory (SCFT) simulations to systematically investigate the phase behavior of statistical bottlebrush copolymers A-stat-B, an intriguing subclass of bottlebrush copolymers with random or alternating sequences of A and B side chains. |
Duyu Chen; Timothy Quah; Kris Delaney; Glenn Fredrickson; |
| 249 | Coarse-grained Models and Interactions of Bottlebrush Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work we consider a coarse-grained molecular model of bottlebrush polymers where the side chains are modeled implicitly, with the aim of expediting simulations by accessing longer length and time scales. |
Tianyuan Pan; Charles Sing; |
| 250 | Co-continuous Nanostructure Formation By Randomly-Branched Copolymers of Polystyrene and Poly(D,L-lactide) Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We found that the breadth of the co-continuous window widened upon increasing f p from unity toward the gel point for each value of f c, and that systems with f c = 4 could achieve a co-continuous window as wide as the previous network architectures, while maintaining the ability to form thin films by solution processing. |
Jaechul Ju; Ryan Hayward; |
| 251 | Exploring Conformations of Comb-like Polymers with Varying Grafting Density in Dilute Solutions Using Dissipative Particle Dynamics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we have performed extensive simulations using Dissipative Particle Dynamics (DPD) and focused on two backbone lengths, Nbb=50, 100, and three sidechain lengths, Nsc=5, 10, 20, the grafting density was also varied from σ=0 to σ=1 . |
Carlos Salinas Soto; Abelardo Ramirez-Hernandez; Su-Mi Hur; |
| 252 | Mesogen Alignment in Liquid Crystal Elastomer (LCE) Microparticles Under Mechanical Stress: Experiments and Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we study micron-sized LCE particles that were synthesized via dispersion polymerization. |
Chuqiao Chen; Viviana Palacio-Betancur; Annie Zhi; Stuart Rowan; Juan De Pablo; |
| 253 | Effect of The Mesogenic Type of Attachment and Composition on The Structural and Viscoelastic Behavior of Side-chain Liquid Crystal Polymer Systems Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work provides molecular insights into the origin and mechanisms behind the non-monotonic trends observed in the structural and viscoelastic behavior of the SCLCP systems. |
Diego Becerra; Lisa Hall; |
| 254 | Synthesis and Characterization of Monodisperse Liquid Crystalline Oligomers: Mapping The Evolution of Phase Behavior from Monomer to Polymer Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we apply a new LC synthetic strategy to prepare a series of monodisperse LC oligomers of controlled lengths. |
Chun Lam Clement Chan; Shawn Maguire; Callie Zheng; Kirstin Bode; Emily Davidson; |
| 255 | Miscibility and Immiscibility in Multiphase Complex Coacervate Droplets Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using the Flory–Huggins theory, modified for incorporating charged polymers, we found how backbones are responsible for the multiphase separation in polyelectrolyte solution blends. |
Aman Agrawal; Angelika Neitzel; Yan Fang; Syed Rizvi; Nur Fariesha Noor Azman; Alamgir Karim; Matthew Tirrell; |
| 256 | Electrostatic Manipulation of Weak Polyelectrolyte Brushes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we study the charging/discharging of a surface grafted with weak polyelectrolyte brushes. |
Christopher Balzer; Zhen-Gang Wang; |
| 257 | Engineering Periodic Dynamic Polymer Microstructure to Design Artificial Muscles and Multilayered, Self-healing Electronics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In nature, these networks are hierarchically-ordered and assemble via cooperative interactions of many weak bonds as opposed to the independent association of a few strong bonds. Here, we use these principles to design linear polymers with periodically-placed dynamic bonds that assemble into supramolecular nanofibers. |
Christopher Cooper; Jian Qin; Zhenan Bao; |
| 258 | Electron Transport Physics of N-Type Semiconducting Polymers: Effects of Chain Topology and Chain Length Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: How chain topology and chain length influence electron transport in n-type conjugated polymers are investigated. The electron mobility of semi-flexible polymers is found to reach … |
Duyen Tran; Sarah West; Samson Jenekhe; |
| 259 | Surface and Bulk Relaxation of Vapour-Deposited Polystyrene Glasses Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We report an experimental and theoretical study of the surface and bulk relaxation of glassy polystyrene produced by physical vapour deposition. |
Junjie Yin; Michael Thees; Christian Pedersen; Andreas Carlson; Thomas Salez; James Forrest; |
| 260 | Linking Molecular Structure to Macroscopic Rheology of Dynamically Associating Polymer Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We derived and experimentally validated a theory that describes a single polymer chain transiently binding to a viscoelastic background that is self-consistently solved from the initial chain. |
Pamela Cai; Andrew Spakowitz; Sarah Heilshorn; Matthew Webber; Brad Krajina; |
| 261 | Predicting Semiconducting Polymer Blend Local Structures and Miscibility with Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We develop a new coarse-graining (CG) method, which improves simulation efficiency ten-fold by representing aromatic rings as rigidly bonded moieties, in which we represent several atoms as virtual sites. |
Puja Agarwala; Enrique Gomez; Scott Milner; |
| 262 | Atomistic Simulations of Drops and Nanoparticles Interacting with Surface Grafted Polymeric Layers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we use Molecular Dynamics (MD) simulations to study the interplay of interactions between nanoparticles, solvent drops and surface-grafted polymeric layers under various system conditions. |
Sai Etha; |
| 263 | Controlling Interface Topography Via Degradation of Soft Nanogel Particles Adsorbed at A Liquid-liquid Interface Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we study controlled degradation of nanogels as a means to dynamically control the topography of soft nanostructured interfaces. |
Vaibhav Palkar; Olga Kuksenok; |
| 264 | Molecular Structure and Conformational Design of Donor-Accepter Conjugated Polymers to Enable Predictable Optoelectronic Property Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we studied the chain conformation and corresponding optical spectra for high-performance D-A CPs in the single-chain state by multimodal variable-temperature scattering, spectroscopy techniques, and molecular dynamics simulations. |
Zhiqiang Cao; |
| 265 | Machine Learning Enhanced Computational Reverse-engineering Analysis for Scattering Experiments (CREASE) for Analyzing Fibrillar Structures in Polymer Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we present a machine learning (ML) enhanced computational reverse-engineering analysis of scattering experiments (CREASE) to analyze the small-angle scattering profiles of fibrillar structures with dispersity in diameter (e.g., aqueous solutions of methylcellulose (MC) fibrils). |
Zijie Wu; Arthi Jayaraman; |
| 266 | Forensics of Polymer Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Unfortunately, since the discovery of rubber vulcanization by Charles Goodyear in 1839, the internal organization of networks has remained a sealed “black box”, due to inability of modern techniques to characterize crosslinked systems in details once they are formed. This long-standing problem of polymer science is addressed by developing a forensic-style method based on the analysis of a network non-linear response to deformation. |
Andrey Dobrynin; |
| 267 | Cavitating Gels: Macroscale Failure to Molecular Structure Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Failure, or fracture, remains one of the most important, yet most challenging, topics in materials science. This challenge is especially true for soft materials, such as hydrogels … |
Alfred Crosby; |
| 268 | Mechanics of Non-Concatenated Ring Polymers – Effects of Topology Revealed By Molecular Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using molecular simulations with perfect control of polymer topology, we make elastomers and thermoplastics out of non-concatenated ring polymers and investigate their mechanical properties during large deformation and failure, which serve as an essential foundation of the proper function of polymeric materials. |
Ting Ge; |
| 269 | Correlation Between Dynamics and Macroscopic Rheology of Vitrimers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present a simulation methodology that utilizes coarse-grained molecular dynamics in conjunction with a Monte Carlo method to capture the bond exchange in vitrimers. |
Fardin Khabaz; |
| 270 | Tuning The Rheological Properties of Dynamic Covalent Hydrogels Through Crosslinking Bond Exchange Kinetics for Biomedical Applications Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: By controlling the aromatic substituents on a benzalcyanoacetamide, we demonstrate that we can preferentially control the forward reaction kinetics, which contributes to the overall modulus of the hydrogel. |
Adrianne Rosales; |
| 271 | Biologically-Inspired Active Droplets: from Reaction Crucibles to Robots(?) Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, I will introduce a very simple and flexible model system for creating droplets of protein that readily partition enzymes, and allow for easy exchange of substrate and product with their surroundings. |
Eric Dufresne; |
| 272 | Hyperuniform Phase-separated DNA Droplets Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we investigate the long-range structures formed by a model phase-separating DNA system. |
Sam Wilken; Aria Chaderjian; Omar Saleh; |
| 273 | Inverse Engineering of Phase Separating Bio-condensates Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Inspired by the observation that intracellular protein/RNA mixtures phase separate into many immiscible membraneless organelles, we seek to design pairwise interactions that can arise from a small number of physicochemical molecular features and yet give rise to complex phase diagrams. |
Fan Chen; William Jacobs; |
| 274 | Interface Dynamics of Active/passive Mixtures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present analytical work on the behavior of the interface between an active nematic and a passive fluid. |
Fernando Caballero; Paarth Gulati; M Cristina Marchetti; |
| 275 | Depletion-Driven Morphological Control of Bundled Actin Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We examine the states straddling the phase transition in terms of micro and macroscale properties. |
James Clarke; Francis Cavanna; Anne Crowell; Lauren Melcher; Justin Houser; Kristin Graham; Allison Green; Jeanne Stachowiak; Thomas Truskett; Delia Milliron; Adrianne Rosales; Moumita Das; José Alvarado; |
| 276 | Tuning Nucleation Kinetics Via Nonequilibrium Chemical Reactions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we consider the influence of driven chemical reactions, which couple molecular conformational changes to a chemical fuel source. |
Yongick Cho; William Jacobs; |
| 277 | Biomolecular Condensates As Nonequilibrium Soft Materials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we connect the ATP-dependent RNA helicase activity of a well-studied DEAD-box helicase to the properties of reconstituted condensates. |
Sebastian Coupe; Nikta Fakhri; |
| 278 | Arresting Spinodal-like Structures in Elastic Matrices Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we demonstrate control over spinodal decomposition processes at the microscale using polymer matrices. |
Carla Fernandez-Rico; Eric Dufresne; Robert Style; Charlotta Lorenz; |
| 279 | Liquid Droplet Coarsening in An Active Biomimetic Fluid Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we immerse phase separating DNA particles in microtubule-based active fluids to investigate the impact of cytoplasmic flows on droplet coarsening dynamics. |
Jeremy Laprade; Hriday Talreja; Anthony Gillespie; William Rogers; Guillaume Duclos; |
| 280 | Modular RNA Motifs for Orthogonal Phase-separated Compartments Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we constructed pure-RNA condensates from single-stranded motifs (monomers) and verified their ability to co-exist as orthogonal compartments that were tracked with the addition of multicolor fluorogenic RNA aptamers. |
Elisa Franco; Shiyi Li; Anli Tang; Jaimie Stewart; Melissa Klocke; Paul Rothemund; |
| 281 | Re-entrant Demixing Behavior Due to Differences in Diffusivity in Active Matter at Intermediate and High Densities Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Recently, researchers found that in a two-species particle-based packing, differential diffusivity drives complete phase separation up to a packing fraction of 0.7. We use an improved particle-based simulation with a faster run time to investigate whether this demixing persists at higher densities, approaching the limit of confluency. |
Erin McCarthy; Ojan Damavandi; Raj Kumar Manna; M Lisa Manning; |
| 282 | Phase Separation and Gelation of Chemically Reactive Macromolecules Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The mesoscale nature of phase-field models enables the study of spatially extended systems over macroscopic timescales. |
Ruoyao Zhang; Sheng Mao; Mikko Haataja; |
| 283 | Active Turbulence Leads to Microphase Separation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Recent experiments have demonstrated a number of unconventional properties of these systems, including propagating interfacial waves and stable microphase separated states. We use a continuum model of active nematics coupled to a scalar phase field to study these phenomena. |
Paarth Gulati; Fernando Caballero; M Cristina Marchetti; |
| 284 | Upcycling of Polyolefins Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we describe the independent control over molecular weight and end group functionality achieved by the coupled sonochemistry and low temperature pyrolysis. |
Amy Le; Ramanan Krishnamoorti; Megan Robertson; Ronard Herrera Monegro; |
| 285 | Upcycling Commodity Plastics Toward Reversible Smart Responsive Materials Through Dynamic Crosslinking Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This presentation will discuss the design, synthesis, recycling, and mechanistic investigation of stretch-induced reversible smart responses of SEBS-based-novel dynamic crosslinked polymers. |
Md Anisur Rahman; Alexei Sokolov; Tomonori Saito; |
| 286 | Vitrimers from Unentangled Polypropylene Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The recycled use of low molecular weight PP waste toward circular economy is a great challenge. This talk will discuss the ability to upcycle these water materials to vitrimers, allowing their further use with significantly improved thermal and mechanical properties. |
Zhe Qiang; Mikaela Sadri; Shiwang Cheng; |
| 287 | Upcycling Polyethylene to Reprocessable Dynamic Covalent Networks Via Free-Radical Grafting of Dialkylamino Disulfide Bonds Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Importantly, the PE CANs recover their thermomechanical properties after reprocessing. We demonstrated that creep behavior of the PE CANs above their melt transition is dominated by the exclusively dissociative reversible dynamic chemistry of the cross-linker. |
Logan Fenimore; Boran Chen; Mohammed Bin Rusayyis; John Torkelson; |
| 288 | Effect of Polymer Species and Reactive Processing Conditions on Upcycling of Thermoplastic Polyolefins Into Reprocessable Polymer Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we extend our method to a series of commodity polyolefins, with resulting CANs being recyclable multiple times without loss of cross-link density. |
Boran Chen; Logan Fenimore; Stephanie Barbon; Hayley Brown; Evelyn Auyeung; Colin Li Pi Shan; John Torkelson; |
| 289 | In Situ X-Ray Scattering Methods for The Characterization of Polymers During Recycling Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We investigated Volatile Catalyst (VolCat), a process for deconstructing polyethylene terephthalate (PET), a semi-crystalline polymer with crystalline regions embedded in an amorphous matrix. |
Sarah Hesse; Nicholas Rorrer; SriBala Gorugantu; Bonnie Buss; Ana R. Morais; David Brandner; Scott Nicholson; Avantika Singh; Bryon Donohoe; Jason DesVeaux; Taylor Uekert; Megan Browning; Jennifer Quigley; Anjani Maurya; Julia Curley; Joel Miscall; Christopher Takacs; Alberta Carpenter; Robert Baldwin; Gregg Beckham; Linda Broadbelt; Christopher Tassone; Robert Allen; |
| 290 | Connecting Polymerization Physics to Macromolecular Deconstruction Product Distributions and Process Kinetics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we demonstrate a simple mathematical model containing modular components that describes the physical phenomena apparent in experimental results—for instance, a partitioning module was developed to simulate poor mixing between deconstruction products and the input polymer. |
Zachary Hinton; LaShanda Korley; Thomas Epps; |
| 291 | Thermophysical Properties of Short-Chain Branched Polyethylene Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present two case studies in the context of chemical recycling where structure-property relationships can be used to accelerate circular polymer design and commercial polyolefin hydrocracking. |
Maria Ley-Flores; Riccardo Alessandri; Juan De Pablo; |
| 292 | Structure-Property Relations in Chemically Recyclable Poly(oligocyclobutane) Polymers from Acyclic Diene Metathesis Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we investigate a new class of chemically recyclable polymers derived from butadiene, a commodity monomer. |
Shawn Maguire; Emily Davidson; Rodney Priestley; Cherish Nie; R. Register; Callie Zheng; Paul Chirik; |
| 293 | "Evolution of Chain Structure During The Glycolysis of Poly(ethylene Terephthalate)" Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our research seeks to track the evolution of chain structure during the depolymerization process to test the presumption that the depolymerization is a surface reaction and to offer insight into the availability of intermediates in the depolymerization process. |
Shelby Watson; Mark Dadmun; Shelby Watson; |
| 294 | Biobased, Non-isocyanate Polythiourethane (NIPTU) Networks: Reprocessability, Enhanced Performance By Inter-chain Disulfide Linkages and End-of-Life Monomer Recovery Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we present research on recyclable non-isocyanate polythiourethanes (NIPTUs) derived from non-food biobased sources, e.g., cashew nutshell liquid and glycerol. |
Yixuan Chen; Boran Chen; Nick Mielke; John Torkelson; |
| 295 | Tunable Methacrylated Chitosan Hydrogels for Dynamic Loading Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we demonstrate a tunable enhancement of the mechanical properties of hydrogels formed from methacrylated Chitosan. We present a technique to contextualize hydrogel formation in consumer-accessible dynamic light processing 3D printers, with demonstrated resolution up to 50 µm. Curing time, degree of crosslinking, and encapsulating media for the gel have been modified to demonstrate the wide array of applications of this technology. |
Samuel Wallaert; |
| 296 | Simulation of Molecular Bottlebrush Relaxation Dynamics By DPD with Proper Orthogonal Decomposition Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using proper orthogonal decomposition (POD), we numerically calculate the eigenbasis for BBs, compare it to linear chains, and offer some interpretation of the first few modes. |
Michael Hore; |
| 297 | Molecular-Weight Dependence of Center-of-Mass Chain Diffusion in Polymerized Ionic Liquid Melts Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, the center-of-mass diffusion of solvent-free, fully-charged PILs were probed using fluorescent recovery after photobleaching (FRAP). |
Peng Lan; Qiujie Zhao; Guangxin Lv; Grant Sheridan; David Cahill; Christopher Evans; |
| 298 | On The Molecular Origin of The Slow Arrenhius Processes (SAP) Responsible for Fast Equilibration of Polymer Melts Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Based on new experimental evidence, we propose that the SAP originate from rearrangements within a set of molecules organized in clusters which are less sensitive to density than the structural process, and do not undergo a glass transition. |
Simone Simon Napolitano; |
| 299 | Dynamic Density Functional Theory for Entangled Polymer Mixtures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The dynamic density functional (DDF) theory is an efficient method to study the dynamic evolution of inhomogeneous polymer and block copolymer melts. It builds on the self-consistent field (SCF) theory, one of the most successful mean-field theories for such polymer systems at equilibrium. |
Friederike Schmid; Bing Li; Alireza Behbahani; |
| 300 | Understanding Molecular Deformation and Relaxation of Ionomers By Complementary Small-angle Scattering Techniques Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The molecular relaxation dynamics of rubidium neutralized sulfonated polystyrene ionomers after a large step uniaxial extension are investigated by small-angle neutron (SANS) and x-ray (SAXS) scattering techniques. |
Yangyang Wang; Christopher Lam; Wei-Ren Chen; |
| 301 | Coarse-Grained Molecular Dynamics Simulation of Poly(dimethyl-co-diphenyl) Siloxane: Chain Dynamics of Unentangled and Entangled Melts Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, an all-atomistic exploration of such an entangled system becomes very challenging due to slow relaxation, especially in presence of phenyl groups. In this work, we addressed this problem using a coarse-grained molecular dynamics (CGMD) approach to investigate the structural and dynamic properties of long-chain copolymers. |
Weikang Xian; Amitesh Maiti; Andrew Saab; Ying Li; |
| 302 | Nonlinear Rheology of Unentangled Polymer Melts Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Thus, we have investigated details of ζ-reduction and other non-equilibrium features for unentangled melts being free from any nonlinearity of entanglement dynamics. |
Hiroshi Watanabe; Yumi Matsumiya; Takeshi Sato; |
| 303 | A Meso-scale Simulation Method for Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have recently developed a meso-scale fluid model, the Discrete-Ion Stochastic Continuum Overdamped Solvent (DISCOS) algorithm, and in this work, we extend it to simulate polymeric systems. |
J. Galen Wang; Daniel Ladiges; Andy Nonaka; John Bell; Alejandro Garcia; |
| 304 | Effect of Submicron Structures on The Mechanical Behavior of Polyethylene Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Changes in submicron structures were found to affect the yielding behavior of polyethylene (PE) during tensile testing.The spatial inhomogeneity of the stress fields associated … |
Mikihito Takenaka; Mizuki Kishimoto; |
| 305 | Equilibrium and Non-equilibrium Dynamics of Polymers Confined in Nanopores Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Subsequently, we studied the adsorption kinetics of PI by following the evolution of the dielectrically active longest normal mode with in situ nanodielectric spectroscopy. |
George Floudas; Panagiotis Kardasis; Chien-Hua Tu; |
| 306 | Isolating The Impact of Reduced Domain Size on The Local Glass Transition Tg(z) Profile in PS/PnBMA Bilayers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: To isolate the impact of only the reduced domain size without confounding effects from any additional interfacial perturbations, we focus on a bilayer film of polystyrene (PS) capped with poly(n-butyl methacrylate) (PnBMA), where the underlying silica substrate is neutral to PS. |
Alexander Couturier; Connie Roth; |
| 307 | Driving Ionomers Towards Equilibrium: Neutron Spin Echo and Simulations Insight Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: From a single molecule to melts, clustering of ionomers drives the formation of far from equilibrium structures. With premise that cluster cohesion controls the path towards … |
Chathurika Kosgallana; Sidath Wijesinghe; Manjula Senanayake; Supun Mohottalalage; Piotr Zolnierczuk; Gary Grest; Dvora Perahia; |
| 308 | The Effect of The Density Fluctuations of Amorphous Polymer on The Plastic Region Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: It is generally known that amorphous polymers fracture with forming of the plastic region such as a crazing and shear yielding. To establish the fracture mechanism of amorphous … |
Daisuke Iwahara; Shotaro Nishitsuji; Mikihito Takenaka; Masaru Ishikawa; Takashi Inoue; Hiroshi Ito; |
| 309 | Revisiting 2D Materials Fabrication with A Fully Mechanized Platform Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, I will introduce the Quantum Material Press (QPress), a unique, automated user facility for 2D material heterostructure fabrication. |
Suji Park; Houk Jang; Kevin Yager; Gregory Doerk; Aaron Stein; Jerzy Sadowski; Charles Black; |
| 310 | Zwitterists: Photo-patternable Polymer Zwitterions for Interfacial Dipole Doping of Monolayer Graphene Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: A series of zwitterionic sulfobetaine-based random copolymers with variable substituents and photo-crosslinkable benzophenone moieties was synthesized and utilized to prepare negative-tone resists for spatial WF engineering of graphene. |
James Nicolas Pagaduan; Nicholas Hight-Huf; Yehiel Nagar; Le Zhou; Avdhoot Datar; Doron Naveh; Michael Barnes; Ashwin Ramasubramaniam; Reika Katsumata; Todd Emrick; |
| 311 | Defect Healing in Graphene Via Rapid Thermal Annealing with Polymeric "Nanobandage" Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: It is crucial to establish a high-throughput healing method of defects in graphene for post-silicon device fabrication, as defect introduction during synthesis and characterization processes is unavoidable. |
Claire Senger; Xiao Fan; James Nicolas Pagaduan; Xiaoyu Zhang; Jinglei Ping; Reika Katsumata; |
| 312 | Crumpling and Mechanical Behaviors of Polymer-Grafted Nanosheets Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we report the results of a systematic coarse-grained molecular dynamics simulation study of the crumpling process and compressive properties of polymer-grafted nanosheets at various polymer grafting densities. |
Yangchao Liao; Wenjie Xia; |
| 313 | Polymer-graphene Thin Film Composites Exhibit Exceptionally Strong Mechanical Strength Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Laminate thin-film composites that couple polymers with single-layer graphene (SLG) are lightweight and have shown superb electromechanical strength. The mechanical strengths of … |
Guoliang Liu; Gabriel Zeltzer; Zacary Croft; |
| 314 | Confinement Effects on Electrical Conductivity and Dielectric Permittivity of Graphene and Reduced Graphene Oxide Dispersed Polymer Nanocomposite Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Pristine graphene can be achieved by reducing graphene oxide, which has a similar honeycomb structure with both sp 2 and sp 3 carbon imbuing the surface with limited oxygen-based functional groups that can interact with the polymer matrix via a nanometric interfacial zone. In this work, we present the nanomaterial loading-frequency dependence of these two fundamental properties, in thin polyvinylidene fluoride (PVDF) film containing GO and rGO of thicknesses ranging from 1 µm to 100 µm. |
Farzana Likhi; Alamgir Karim; |
| 315 | Effect of Mild Thermal Annealing on Structure and Properties of Graphene Oxide-Polymer Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This weak opening will alter the interaction between GO and polymer and ultimately affect the final structure and properties of polymer-based products such as GO-polymer nanocomposites. In this regard, we investigate the change of the crystallization and melting behaviors of polymers with mild thermal annealing of GO and show the migration of the functional groups vary the GO-polymer interaction ultimately changing the nature of polymer crystallization. |
Seunghan Yun; So Youn Kim; |
| 316 | Effects of Chemical and Physical Features of 2D Nanofillers on The Mechanical and Viscoelastic Properties of Polymer Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have found that the patchy structures in GO sheets are responsible for variations in interfacial and viscoelastic properties of GO-based nanocomposites, and the wrinkle level of 2D nanofillers influences the mechanical and viscoelastic properties of the nanocomposites. |
Zhaoxu Meng; |
| 317 | A Study of Morphology Formation Mechanism of Graphene Oxide Nanofillers in Polyurethane Matrix Under Flow Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work presents an implementation of mesoscopic DPD (Dissipative Particle Dynamics) simulation to investigate the coalescence and dispersion of GO (graphene oxide) nanofillers in TPU (thermoplastic polyurethane) matrix under various processing conditions. |
Sunsheng Zhu; Shaghayegh Khani; Joao Maia; |
| 318 | John H. Dillon Medal (2022): Stretched Polymer Physics and Rheology Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we describe dripping-onto-substrate (DoS) rheometry protocols we developed to facilitate extensional rheology characterization even for lower viscosity fluids and at high extensional rates beyond the range of most commercially-available methods. |
Vivek Sharma; |
| 319 | Adventures of A Curious Scientist: Self-Assembly of Water Drops to Optics of Butterflies and Beetles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We use optical methods, mostly various forms of light microscopy and scattering to study and understand such soft materials. In this talk, I will provide two such examples using structure formation in polymer solutions and structural color in biology. |
Mohan Srinivasarao; |
| 320 | The Fluid Dynamics of Dripping Onto A Substrate (DOS) Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We employ a computational rheology approach using adaptively-refined axisymmetric numerical simulations with the open-source Eulerian code, Basilisk. |
Gareth McKinley; Konstantinos Zinelis; Thomas Abadie; Omar Matar; |
| 321 | Megasupramolecules Take to Water Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Ultralong linear polymers at low concentration profoundly alter the behavior of low viscosity liquids in flows that involve elongation—yet leave the shear viscosity and interfacial tension nearly unchanged. The advent of dripping-on-substrate extensional rheometry (DoSER) represents a major contribution to characterizing these low shear viscosity solutions. |
Julie Kornfield; Red Lhota; Robert Learsch; Hojin Kim; Chris Nelson; |
| 322 | Single Molecule Polymer Physics in 3D Flows Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Overall, this work extends the nonequilibrim dynamics of single polymers, particles, and soft materials to three dimensions, enabling quantitative analysis of soft materials in complex flow fields. |
Charles Schroeder; Hung Nguyen; |
| 323 | Nonlinear Relaxation of PVA/Borax Solution Under Step Strain Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In unentangled PVA solutions with a high Borax concentration C B, the chains formed a percolated transient network bridged by Borax ions thereby exhibiting sticky Rouse-type LVE relaxation much slower than the relaxation of the neat PVA solution. This high- C B solution showed nonlinear damping under large step strain γ, and its nonlinear relaxation modulus G( t, γ) was time-strain separable at long time ( t). |
Hiroshi Watanabe; Yanjie Zhang; Quan Chen; |
| 324 | Capillary Bonding of Membranes By Viscous Polymers: Infiltration Kinetics and Mechanical Integrity of The Bonded Polymer/Membrane Structures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we present capillary infiltration study of a viscous polypropylene (PP) within polyethersulfone (PES) membranes. |
Yifu Ding; Jaylene Martinez; Rong Long; Jason Killgore; Christina Carbrello; Robert Castro; Shouhong Fan; Yinan Lu; Salil Rabade; Stefano Berti; Adrienne Blevins; Sean Foley; Kieran Fung; |
| 325 | Theory of Dipole-driven Self-assembly of Charged Macromolecular Aggregates Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We will present a general theory for the spontaneous formation of finite-sized aggregates in solutions of polyzwitterions, physical polyzwitterions, polyelectrolytes, and intrinsically disordered proteins. |
Murugappan Muthukumar; |
| 326 | Influence of Sequence Charge Pattern on Secondary Structures of Bioinspired Polyampholytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The polyampholyte sequences utilized in this study are composed entirely of ionizable amino acids (charge fraction, f=1), and an equal number of positive and negative charges ( f+=f-=0.5) with distinct charge patterns consisting of lysine and glutamic acid monomers. |
Matthew Tirrell; Jelena Dinic; Mathew Schnorenberg; |
| 327 | Salt Weakens Intermicellar Interactions and Structuring in Bulk Solutions and Foam Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: At a fixed surfactant concentration, the stepwise decrease in the average film thickness of a stratifying micellar film yields a characteristic step size. In this presentation, we will contrast these step sizes obtained from the analysis of nanoscopic thickness variations in thin foam films using interferometry protocols with the intermicellar distances in bulk surfactant solutions obtained using small-angle X-ray scattering (SAXS) measurements. |
Samanvaya Srivastava; Vivek Sharma; Shang Gao; Chrystian Ochoa; |
| 328 | Pinching Dynamics of Dense Colloidal Suspensions with Depletion Attractions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We study the extensional flow properties via the pinch-off dynamics of both polymer solutions and concentrated colloidal suspensions (volume fraction Φ ≥ 0.40) with induced depletion interactions using a dripping-onto-substrate (DoS) protocol. |
Jacinta Conrad; Diego Soetrisno; Carina Martínez Narváez; Mariah Gallegos; Vivek Sharma; |
| 329 | Impact of Photoactive Monomer Location in Photo-responsive Block Copolymer/Ionic Liquid Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we study the effect of the positioning of pendant azobenzene groups along the polymer backbone on the lower critical disorder-order transition of poly(methyl methacrylate)- block-poly(benzyl methacrylate) (PMMA- b-PBnMA, or MB) in the ionic liquid 1,3-dimethyl imidazolium bis(trifluoromethylsulfonyl)imide. |
Timothy Lodge; Claire Seitzinger; |
| 330 | Viscoelastic Response of Mucus Above Living Bronchial Epithelial Cells Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We apply and remove a magnetic force and track microwire displacement to determine the compliance and viscosity of healthy and IL-13 stimulated mucus on the respective HAEC cultures. |
Gerald Fuller; Maggie Braunreuther; |
| 331 | Solvent Reorganization Leads to Enthalpy–entropy Compensation in Biomolecular Recognition Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We find that the solvent reorganization is the major source of the EEC during the binding process, arising from the temperature-dependent nonelectrostatic and electrostatic interactions. |
Shensheng Chen; Zhen-Gang Wang; |
| 332 | Complexation of Oppositely-charged Polyelectrolytes in The Presence of Divalent Ions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present a study on the effects of ion valency, which remains largely unexplored. |
Jacob Horne; Jian Qin; Yan Xia; Kayla Barker; |
| 333 | Factors Governing Polyelectrolyte Complexation in Non-Ideal Environments Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, non-idealities in PE composition and architecture will be addressed to mimic and represent realistic conditions under which PE complexation occurs. |
Divya Iyer; Holly Senebandith; Samanvaya Srivastava; Lucas Willey; Peter Goh; Vanessa Huaco; |
| 334 | Internal Structure in Systems of Self-coacervating Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we present the results of our computational study using a highly coarse-grained polymer model containing polycation, polyanion, and uncharged blocks with explicit monomer polarizability. |
Zuzanna Jedlinska; Robert Riggleman; |
| 335 | Transfer Matrix Theory of Complex Coacervation for Patterned Polyelectrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: By understanding how charged monomer sequence plays a role in complex coacervation, we aim to gain a greater understanding of the physics involved with biological condensates. |
Ashley Knoerdel; Charles Sing; |
| 336 | PH Effects on Conformation and Ionization of Charge Sequence Varied Polyampholytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: From pH titrations and small angle X-ray (SAXS) experiments, we find increasing buffering behavior with growing block length as well as extension of the molecule, approaching PE behavior at extreme pHs. |
Winnie Shi; |
| 337 | Structure and Viscoelasticity of Hybrid Colloid-Polyelectrolyte Coacervates Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We theoretically consider complex coacervation between polyelectrolytes (PEs) and oppositely charged colloids, such as globular proteins, solid nanoparticles, or spherical micelles of ionic surfactants. |
Artem Rumyantsev; Oleg Borisov; Juan De Pablo; |
| 338 | Phase Separation with Elasticity: Interplay of Droplet Morphology and Thermodynamic Stability Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, I propose a model that comprises elastic and mixing energies to describe the liquid-network system. |
Shichen Wang; Peter Olmsted; |
| 339 | Effect of Polymer Gel Elasticity on Coacervate Phase Behavior Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In order to investigate the effect of the elastic environment on biomacromolecular assembly, we have studied how varying gel modulus changes the phase behavior and radius of coacervate droplets. |
Kathryn Wilcox; Brittany Roopnarine; Kai Yamagami; Adam Linscott; Svetlana Morozova; |
| 340 | Mixing and Solvation Transitions in Aqueous Mixtures of Free Polymers and Microgels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, we will describe how solvated poly(N-isopropylacrylamide), or PNIPAM, does not penetrate into polyethylene glycol (PEG) microgels dispersed into an aqueous PNIPAM solution at low temperatures. |
Senthilkumar Duraivel; Sofia Goodrich; Brent Sumerlin; Thomas Angelini; |
| 341 | Charge-Pattern Dependent Sequestration of Globular Proteins in Membraneless Organelles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We use coarse-grained molecular dynamics simulations to study the role of surface charge patterns in the sequestration of globular proteins in MLOs. |
Heyi Liang; Artem Rumyantsev; Juan De Pablo; |
| 342 | Liquid-liquid Phase Separation Within Fibrillar Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we introduce a synthetic analog to biomolecular condensates within the cell. |
Jason Liu; Mikko Haataja; Andrej Kosmrlj; Sujit Datta; Craig Arnold; Rodney Priestley; |
| 343 | Liquid State Theory of Microstructure and Local Clustering of Biomolecular Condensates and Its Consequences on Slow Dynamics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we use the Polymer Reference Interaction Site Model liquid state integral equation theory that is highly developed for synthetic homopolymer and copolymer melts and solutions to study biomolecular condensates of periodic and aperiodic sequences in polymeric microemulsion-like states of organization. |
Guang Shi; Ken Schweizer; |
| 344 | Upper Critical Solution Temperature Phase Behavior of Polyguanidinium Simple Coacervation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we demonstrate that the polyguadinium in aqueous media undergoes LLPS when the electrostatic repulsion is sufficiently reduced by monovalent or multivalent salts, and the simple coacervation shows the upper critical solution temperature (UCST) phase behavior. |
Seunghwan Oh; SooHyung Choi; |
| 345 | Molecular Mechanism of Selective Partitioning of Medicinal Lipids Into Lipid Droplets Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we present a molecular dynamics simulation study revealing that worm-like flexible squalene is readily deformed to move through intertwined chains of triacylglycerols in the LD core, whereas rod-like rigid zeaxanthin is trapped on the LD surface due to a high free energy barrier in diffusion. |
Chang Yun Son; |
| 346 | Towards Quantitative Structure-Property Relationships for Polymer Biodegradability Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we report the synthesis of a large library of polyesters and polycarbonates and the development of a high-throughput biodegradation assay based on the classic clear zone assay. |
Bradley Olsen; Katharina Fransen; Sarah Av-Ron; |
| 347 | Time-gated Raman Spectroscopy for Characterizing Recovered Plastics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we employ time-gated Raman spectroscopy to successfully reduce the fluorescence signal and measure Raman spectra of recovered plastics. |
Anthony Kotula; Sara Orski; Kayla Brignac; Jennifer Lynch; Bryan Heilala; Celeste Copay; |
| 348 | Photoinduced Phase Transition in Microstructured Ionic End-functionalized Polymer Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We demonstrate that the simple functionalization of the chain ends of incompatible polymers with oppositely charged groups leads to electrostatically stabilized microdomains and suppressed macroscopic phase separation. |
Shuyi Xie; Rachel Segalman; Kai-Chieh Yang; Kseniia Karnaukh; Javier Read de Alaniz; |
| 349 | Hydroxy Telechelic Polyethylene Additives As Compatibilizers for Mechanical Recycling Polyethylene Terephthalate/Polyethylene Mixed Waste Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Mechanical properties can be recovered through the presence of premade or in situ formed block copolymers that can localize at polymer-polymer interfaces and “stitch” the two phases together. In this work, we provide new insight into the mechanisms that hold these “stitches” in place, specifically in cases where compatibilizers can form a loop in a homopolymer phase. |
Aristotle Zervoudakis; |
| 350 | Compatibilization of HDPE and IPP Blends with Hydrogenated Polybutadiene Block Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Aiming at the global plastic waste crisis, we have investigated the performance of a series of polybutadiene (PB)-derived saturated hydrocarbon block copolymers for HDPE/iPP compatibilization. |
Liyang Shen; Gabriela Diaz; Christopher Ellison; Frank Bates; |
| 351 | Atomistic Simulations and Theory of Composition-dependent Crystal Nucleation in Polymer Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We apply united-atom molecular dynamics (MD) simulations to quantify the composition-dependent crystal nucleation in polymer blends. |
Wenlin Zhang; Lingyi Zou; |
| 352 | Block Copolymer Compatibilizers for Improved Polymer Upcycling Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: How do we optimize copolymer sequence to maximize blend toughness? Here, we investigate this question using coarse-grained molecular dynamics simulations in which we add various sequences of block copolymers to an incompatible polymer blend. |
Robert Ivancic; Debra Audus; |
| 353 | Molecular Weight Determination of Polyolefin Deconstruction Products By Thermal Analysis Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: High temperature gel permeation chromatography is the standard approach to determine the molecular weight distribution of these products, but accessibility to this technique is a challenge. To address this accessibility gap, we propose a method to determine the molecular weight distribution of polyolefin deconstruction products using differential scanning calorimetry (DSC). |
Alex Balzer; Thomas Epps; LaShanda Korley; |
| 354 | Tunable Functionalization and Upcycling of Polyolefins to Polyurethanes Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: By 2050 the accumulation of plastic waste is projected to reach 12,000 Mt, where 18% are recycled, 24% incinerated, and the remaining 58% are either landfilled or enters the … |
Ronard Herrera; Megan Robertson; Ramanan Krishnamoorti; |
| 355 | Interfacial Activity of Hydrogenated Polybutadiene Block Copolymers with HDPE and IPP Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Blending poly(ethylene) and poly(propylene) is an attractive recycling strategy. However, phase separation and poor interfacial strength result in inferior mechanical integrity. … |
Gabriela Diaz; Liyang Shen; Christopher Ellison; Frank Bates; |
| 356 | Tunable Hydration Properties of Charge Modified Phytoglycogen Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have investigated the effects of charge modification on the hydration properties of PG that is anionically modified by carboxymethylation (CM-PG). |
Carley Miki; Michael Grossutti; John Dutcher; |
| 357 | Reconfiguration of Star Block Copolymer at Homopolymer Interfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Recycling and upcycling of plastic waste is important to address the rapid increase of plastic waste problems. Star block copolymers (s-BCPs), formed by joining multiple linear … |
Zhan Chen; Christian Steinmetz; Mingqiu Hu; Jan-Michael Carrillo; Bryan Coughlin; Thomas Russell; |
| 358 | Crossover Expressions for The Craze Extension Ratio of Semiflexible Polymer Glasses Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we will present crossover expressions that accurately predict λ craze and λ frac in flexible and semiflexible polymer glasses spanning the entire range of chain stiffnesses and N e/C ∞ values for which the glasses’ parent melts remain isotropic. |
Kai Nan; Robert Hoy; Joseph Fox Dietz; |
| 359 | Theory for The Strain Hardening of Glassy Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We propose a model for the strain-hardening of glassy polymers. |
Didier LONG; Thomas Merlette; Jerome Hem; Caroline Crauste; Sergio Ciliberto; Florence Clement; |
| 360 | Structural Relaxation During The Strain-rate Switching of Polymeric Glasses Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We stretch poly(methyl methacrylate) glass films at a strain rate of 10 -5 s -1 at a temperature Tg-20K and measure in situ the segmental relaxation time using a photobleaching technique. |
Pradip Kumar Bera; Grigori Medvedev; Mark Ediger; |
| 361 | Mechanistic Origins of Glass Transition Dependence on Molecular Weight in Linear Homopolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we present results from simulations of molecular dynamics for several polymer models, ranging from the simple bead-spring model to atomistic polystyrene, that indicate that the Tg molecular weight dependence is not driven by chain end effects. |
William Drayer; David Simmons; |
| 362 | Molecular Signatures of The Glass Transition in Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we introduce two new molecular signatures for the glass transition of polymers that exhibit clear changes as one approaches Tg: i) differential change of the probability distribution of dihedral angles as a function of temperature, and ii) the distribution of fractional of time spent in the different torsional states. |
Tianyi Jin; Connor Coley; Alfredo Alexander-Katz; |
| 363 | Effect of Comonomer Sequence Distribution on The Glass Transition Temperature of Poly(D,L-lactic-co-glycolic Acid) Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We developed a facile method (named “feed rate-controlled polymerization (FRCP)”) for producing statistically monomer sequence-controlled aliphatic copolyesters, such as uniform poly(lactic-co-glycolic acid) (PLGA). |
Samruddhi Patil; You-Yeon Won; |
| 364 | Modeling Glass-Forming Systems to Illuminate Connections Between Experimental Properties Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk we will discuss our recent work in the modeling of dielectric spectroscopy data on glass-forming polymers, nanocomposites, and interfaces, as well as our current research on rheological properties, ellipsometry of polymer films to obtain free volume, and expansivities of melts and glasses under mechanical constraint. |
Ronald White; Jane Lipson; |
| 365 | Enhancing The Dielectric Response of The ‘Hidden’ Secondary Β-Relaxation in Polystyrene Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We here focus on the behaviour of one of the most investigated polymers – polystyrene (PS). |
Caitlin Probert; |
| 366 | A Model for Translational and Orientational Relaxation in Glass Forming Materials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this communication, a random walk model is proposed that does not involve energy barriers. |
Grigori Medvedev; |
| 367 | Glycerol Glass Under Pressure Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We report high-pressure measurements of the elastic properties, relaxation times, photoelastic constants, and Cauchy-like relations of glycerol to 14 GPa by Brillouin scattering. |
Cade Vallero; Muhtar Ahart; Seiji Kojima; Russell Hemley; |
| 368 | Film Thickness Dependence of The Kinetic Stability and Glass Transition Temperature of Ultrastable and Rejuvenated PS Films Prepared By Vapor Deposition Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have used ellipsometry to study the properties of ultrastable and rejuvenated films of near-oligomeric PS with thickness ranging from 10-100 nm. |
James Forrest; Junjie Yin; |
| 369 | Space That Cannot Be Accessed Is Not Free: Why Volume and Dynamics Decouple in Nanocomposite Matrices Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: So it was provocative to encounter examples where this connection seemed to break down – but does it, really? This talk will provide the answer, and yield insight as to how nanoparticle presence can affect thermophysical properties, and therefore dynamic response. |
Jane Lipson; Ronald White; |
| 370 | Entanglement Topology of Ring-Linear Polymer Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I will present results from equilibrium and non-equilibrium molecular dynamics simulations of the equilibrium dynamics, entanglement topology, and nonlinear extensional rheology of ring/linear polymer blends, systematically varying the fraction of rings and the ratio of ring and linear chain lengths. |
Gary Grest; |
| 371 | Chemical Features of Convected Constraint Release in Polymer Melts Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We find that entanglement kinetics are independent of molecular weight and thus the number of entanglements, but depend the number of Kuhn segments per entanglement strand Ne. |
Peter Olmsted; Benjamin Dolata; Marco Aurelio Galvani Cunha; Mark Robbins; |
| 372 | Effect of Compatibilizers on Polymer Blend Interfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we use coarse-grained molecular dynamics simulations to determine the effect of diblock copolymers and sheet-like compatibilizers at polymer blend interfaces. |
Shoumik Saha; Dilip Gersappe; |
| 373 | Force-Driven Active Dynamics of Thin Nanorods in Unentangled Polymer Melts Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: A scaling theory is developed to quantify the dependence of the friction coefficient on the strength of the active force. |
Siteng Zhang; Jiuling Wang; Ting Ge; |
| 374 | Flow-Driven Dynamic Heterogeneity in Elongating Associative Polymer Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we apply a new reactive bead-spring model for associating polymers with coordinated dynamic bonds and study their dynamics during extensional deformation. |
Thomas O’Connor; |
| 375 | Uniaxial Elongational Flow of Entangled, Associating Linear Polymer Melts Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We find that cluster size increases with increasing interaction between the associating beads. |
Rosita Sivaraj; Supun Mohottalalage; Dvora Perahia; Thomas O’Connor; Gary Grest; |
| 376 | Molecular Dynamics Simulation of Diffusiophoretic Motion of Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Diffusiophoresis refers to the spontaneous motion of a particle or a polymer chain in a solution induced by a concentration gradient of a different type of solutes. … |
Binghan Liu; Gary Grest; Shengfeng Cheng; |
| 377 | Evaporation of Sessile Droplets: A Molecular Dynamics Study Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work we report molecular dynamics simulations of the evaporation process of a droplet adsorbed on a solid substrate with the contact line pinned by a chemical heterogeneity. |
Yisheng Huang; Shengfeng Cheng; |
| 378 | Using Scale-dependent Elasticity to Probe and Influence The Distribution of Localization Lengths in The Amorphous Solid State Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We show, in particular, how the response to short length-scale elastic deformations sheds light on the asymptotics of the distribution at short localization length-scales. |
Boli Zhou; Rafael Hipolito; Paul Goldbart; |
| 379 | Characterization of Local-perturbation-induced Non-affine Displacement Fields in Amorphous Solids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We showed that local pure shear of single triangles can give rise to quadrupolar displacement fields, though in most cases there were significant contributions from other types of defects. |
Jinpeng Fan; Evan Willmarth; Weiwei Jin; Amit Datye; Udo Schwarz; Mark Shattuck; Corey O’Hern; |
| 380 | Understanding Non-affine Displacement Fields of Amorphous Solids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We take a stepwise approach to understanding the differences in the nonaffine displacement fields of amorphous solids and those obtained from Eshelby inclusions. |
Evan Willmarth; Jinpeng Fan; Weiwei Jin; Mark Shattuck; Corey O’Hern; |
| 381 | Osmotic Swelling Behavior and Structure of Ionic Microgel Mixtures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Within a coarse-grained modeling framework [1-3], we derive effective electrostatic interactions in binary mixtures of ionic microgels that carry fixed charges on their surfaces. |
Mohammed Alziyadi; Alan Denton; |
| 382 | Folding of Biopolymers in Crowded Environments Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We perform molecular dynamics simulations of coarse-grained models of proteins that are predicted to follow either two-state or multi-state folding pathways and explore how conformational stability and folding pathways depend on crowder properties, e.g., sizes, concentrations, and interparticle interactions. |
Mahesh Aryal; Alan Denton; |
| 383 | Sequence Control of Bioinspired Calcium-Responsive Protein Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: For positions that are less conserved, U represents an aliphatic amino acid and X represents any amino acid. We explored monomer-scale manipulations of this sequence by creating a panel of RTX proteins with substitutions at the fifth position in the GGXG(X)DXUX sequence. |
Marina Chang; Danielle Mai; |
| 384 | Phase Behavior of PH-responsive Polyelectrolytes and Hydrogels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using a Monte Carlo/molecular dynamics scheme that dynamically adjusts the charges of individual ionizable groups we calculate pH–temperature phase diagrams of linear polyelectrolytes as well as hydrogels. |
Tine Curk; Jiaxing Yuan; Erik Luijten; |
| 385 | Rational Heteropolymer Design Based on Protein Sequence Space Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We hypothesize that proteins’ segmental sequence information can guide statistic sequence control in RHPs to holistically replicate protein functions. |
Ting Xu; |
| 386 | Architecturally Semiflexible Bottlebrush-Based Block Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: For block copolymer (BCP) self-assembly, classical understanding is that domain spacing is limited by the contour length of the polymer backbone. We discover that this molecular picture does not hold for architecturally semiflexible block copolymers. |
Liheng Cai; Shifeng Nian; |
| 387 | Long-range Correlations and Yielding of Diblock Star-polyelectrolyte Micelles in The Diluted Limit Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We report a combined study of the synthesis, rheology, electron microscopy, and molecular dynamics of four-arm diblock poly(styrene) (PS) – poly(methacrylic acid) (PMAA) star polymers in solution. |
Andrea Giuntoli; Roshan Yunus; Aleksander Guzik; Utku Gürel; Marc Stuart; Patrizio Raffa; Daniele Parisi; |
| 388 | Acousto-Photolithography for Programmable Shape Deformation of Composite Hydrogel Sheets Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, acoustically driven particle manipulation depends on the acoustic impedance difference between the particles and the surrounding fluid, making it a more versatile method to spatially control particles. Here, we introduce the combination of acoustic force to align photothermal particles and photolithography to spatially immobilize these alignments within a temperature-responsive poly(N-isopropylacrylamide) hydrogel to trigger shape deformation under temperature change and light exposure. |
Jinhye Bae; Minghao Li; Jiyang Mei; James Friend; |
| 389 | Structure-dependent Mechanoluminescence Behaviors Via 3D Printing of Capillary Suspensions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we present a design strategy and fabrication technique for creating well-defined periodic cellular 2D or 3D ML devices with tunable mechanical properties and structure-depended ML behavior ( i.e., anisotropic and isotropic luminescence). |
Jiayu Zhao; Seongkyu Song; Xuan Mu; Soon Jeong; Jinhye Bae; |
| 390 | Nanostructured Block Polymer Muscles Exhibiting Reversible Actuation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, the presentation will cover a new class of fiber actuators that contract or rotate when triggered by heat or hydration. |
Robert Hickey; |
| 391 | Simulating Soft Matter Self-assembly Using Deformable Nanoscale Building Blocks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: A coarse-grained model of protein subunits that incorporates their stretching and bending energies is developed while retaining many features of the rigid-body models including a truncated pyramid shape favorable to icosahedral capsid assembly. |
Vikram Jadhao; Fanbo Sun; Lauren Nilsson; |
| 392 | Finite Element Modeling of Hydrogel Swelling Under Arbitrary Confinements Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we present a finite element model of hydrogel swelling in the presence of arbitrary impenetrable confinements, written in Morpho, an open-source programmable environment for shape optimization. |
Chaitanya Joshi; Jean-Francois Louf; Sujit Datta; Timothy Atherton; |
| 393 | Effect of Photoisomerizable Surfactant on Light-Responsive Shape Transformation of Block Copolymer Particles Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Photoactive shape-changing particles offer a promising platform for smart materials with tunable properties at high spatiotemporal resolutions. Herein, a series of spiropyran … |
Jinwoo Kim; Bumjoon Kim; Kang Hee Ku; |
| 394 | Engineering Fluid-fluid Interfaces Through Processing and Multicomponent Adsorption Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This talk will provide the motivation to use microscale interfaces for efficient analysis of complex interfacial phenomena and how that relates to the material properties of interface-dominated materials. |
Lynn Walker; |
| 395 | Effect on Interfacial Tension of Multiblock Polymers at Immiscible Homopolymer Interfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: While significant theoretical and experimental effort has been devoted to understanding how diblock copolymers reduce interfacial tension, considerably less effort has been devoted to studying the reduction in interfacial tension induced by multiblock copolymers when they adsorb at interfaces. To address this question, we will present interfacial tension data obtained via molecular dynamics simulations of a coarse-grained polymer model, focusing on the extent to which this effect is controlled by the architecture of the multiblock polymers. |
Ryan Collanton; Kevin Dorfman; |
| 396 | Self-Assembly of Amphiphilic Janus Particles at Oil/Water Interfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, there has been less work focused on understanding the mechanism and factors governing the interfacial assembly of Janus particles. We investigated the interfacial behavior of these chemically and morphologically heterogeneous polymer colloids using pendant drop tensiometry. |
Alex McGlasson; Thomas Russell; |
| 397 | Aggregation and Pressure Effects of Asphaltene and Resin Molecules at Oil–water Interfaces: A Coarse-grained Molecular Dynamics and Free Energy Study Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Coarse-grained molecular dynamics simulations were used to investigate the aggregation of asphaltene and resin molecules in oils and their deposition to oil–water interfaces. … |
Roland Faller; |
| 398 | Per- and Polyfluoroalkyl Substances (PFAS) Foams: Effect of Interfacial Properties Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In the present work, the foaming capacity of long-chain and short-chain PFAS in the presence of electrolytes is studied. |
Muchu Zhou; Stephen Kooker; Reza Foudazi; |
| 399 | The Effect of Core Tg on The Air–Water Surface Mechanical Properties of Water–Spread Block Copolymer Micelles Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: In the pursuit of the development of a novel polymer lung surfactant therapeutic, proper design and understanding of the air–water surface mechanical properties of the polymer … |
Daniel Fesenmeier; You-Yeon Won; Seyoung Kim; |
| 400 | Sequence-Defined Polymer Brushes As Patternable Surface Modification Monolayers for Semiconductor/Bio Interfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we developed a class of bioinspired, sequence-defined polymers–polypeptoids, as designer polymer brushes for surface modification of lithographic substrates. |
Beihang Yu; Boyce Chang; Whitney Loo; Scott Dhuey; Padraic O’Reilly; Paul Ashby; Michael Connolly; Kathleen Ryan; Grigory Tikhomirov; Ronald Zuckermann; Ricardo Ruiz; |
| 401 | Symmetry-Breaking Patch Formation on Triangular Gold Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our work provides a novel approach to leverage polymer interaction with nanoscale surfaces to drive asymmetric grafting in functional nanomaterials. |
Thi Vo; Ahyoung Kim; Hyosung An; Progna Banerjee; Lehan Yao; Shan Zhou; Chansong Kim; Delia Milliron; Sharon Glotzer; Qian Chen; |
| 402 | Structural and Dynamic Properties of Poly(styrene-co-maleic Anhydride) at The Interface of Conjugated Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, I will present the results of a series of all-atom molecular dynamics simulations that we have conducted in order to provide a molecular scale understanding of the structural and dynamic properties of poly(styrene-co-maleic anhydride) (PSMA), which is a common capping agents for CPNs, on the interface of the conjugated polymer, poly(9,9-di-n-octylfluorene-alt-benzothiadiazole) (F8BT). |
Christian Lorenz; Robert Ziolek; Mark Green; Miruna Serian; Alice Pettitt; |
| 403 | Monomer Distributions in Dyck Path Models of Grafted Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: These physical properties affect the adsorption of molecules into the layer. In this talk this is modelled using a directed Dyck path model of a grafted linear polymer. |
Esaias Janse van Rensburg; |
| 404 | Zwitterionic Polymer Grafted from Silica Surface for The Study of Mucosal Transport Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Herein, we studied the interactions between mucus and zwitterionic polymers with PMPC, and the combined effects of boronic acid chemistry, surface presentation, and pH on particle-mucus interactions. |
KARLA CURENO HERNANDEZ; Jeonghun Lee; Sunghoon Kim; Margarita Herrera-Alonso; |
| 405 | Polymers of Intrinsic Microporosity- Molecular Mobility and Physical Aging Revisited By Dielectric Spectroscopy and X-Ray Scattering Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, the dielectric behavior of PIM-1 films and their behavior upon hating (aging) were revisited by isothermal frequency scans during different heating/cooling cycles over a broad temperature range between 133 K and 523 K by Broadband Dielectric Spectroscopy. |
Farnaz Emamverdi; Glen Smales; Martin Böhning; Andreas Schönhals; |
| 406 | Size-Dependent Reentrant Mobility of Polymers Driven in A Periodic Potential Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we revisit a relevant problem, considering potential applications extended to electrodialysis and filtration of polymers, in which the polymers of various flexibilities and lengths selectively cross over spatially periodic energy barriers in three dimensions. |
Won Kyu Kim; |
| 407 | Physical Aging of Hydroxypropyl Methylcellulose Acetate Succinate Amorphous Solid Dispersions Using Fast Scanning Calorimetry Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, physical aging of the polymer excipient impacts drug stability in ASDs, the extent of which remains unknown. To address this knowledge gap, we employed fast scanning calorimetry (FSC) to probe the physical aging behavior of spray-dried ASDs. |
Yejoon Seo; |
| 408 | Applicability of Generalized Stokes Einstein Relation of Mode-Coupling Theory to Near-Critical Polyelectrolyte Complex Coacervate Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Despite the additional complexities due to charge fluctuations and associative behavior, we examine whether the mode-coupling theory of Kawasaki and Ferrell [2,3] can describe the wavevector-dependent collective diffusion coefficient ( Dc) in near-critical polyelectrolyte complex coacervate solutions, a framework validated in many uncharged near-critical fluid mixtures. |
Vivek Prabhu; Yuanchi Ma; Paul Salipante; Steven Hudson; Jack Douglas; |
| 409 | Suppression of Segmental Chain Dynamics on Particle’s Surface in Attractive Polymer Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: The Rouse dynamics of polymer chains in model nanocomposite PolyEthylene Oxide (PEO)/Silica NanoParticles (NPs) was investigated using QuasiElastic Neutron Scattering (QENS). The … |
Antonio Faraone; Jihyuk Kim; Benjamin Thompson; Taiki Tominaga; Michael Ohl; Erkan Senses; Norman Wagner; |
| 410 | Spatial-temporal Dynamics at The Interface of 3D Printed Photocurable Nanocomposite Layers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we utilize in-operando X-ray photon correlation spectroscopy (XPCS) measurements with microbeam capability to probe the real-time structural evolution at the filament-filament interface during extrusion 3D printing. |
Tad Koga; Benjamin Yavitt; Lutz Wiegart; Daniel Salatto; ZHIXING HUANG; Sascha Poeller; Manuel Schiel; Maya Endoh; Stanislas Petrash; |
| 411 | Probing The Structure-Dynamics-Process-Property Relationship of A Curing Epoxy Resin Via X-ray Photon Correlation Spectroscopy Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we used X-ray photon correlation spectroscopy (XPCS) to investigate the structure/dynamics changes of a commercially available thermally-cured two-component adhesive (epoxy and acrylic resin) under operando conditions closely simulating industrial processing (i.e., nozzle extrusion and thermal-assisted crosslinking). |
Leonidas Tsapatsaris; Lutz Wiegart; Stan Petrash; Mikihito Takenaka; Tadanori Koga; Maya Endoh; |
| 412 | Surface Fluctuations on Epoxy Resin Thin Films During The Curing Process Studied By GI-XPCS Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, thermal fluctuations on the surface of epoxy resin thin films were investigated by grazing incidence XPCS (GI-XPCS) for understanding the dynamical properties during the curing process. |
Taiki Hoshino; Yasushi Okamoto; Atsushi Yamamoto; Hiroyasu Masunaga; |
| 413 | The Study on Dispersion of Filler in Rubber/filler System By ASAXS Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, it is difficult to clarify the respective dispersion because the sizes of the dispersion of CB and ZnO are close. To solve this problem, we focused on anomalous small angle X-ray scattering (ASAXS). |
Shotaro Nishitsuji; Yuki Tanaka; Mizuki Kishimoto; Kiminori Uchida; Yohei Nakanishi; Mikihito Takenaka; |
| 414 | Polarized Resonant Soft X-Ray Scattering (P-RSoXS) As A Tool to Measure Structure at Crystalline-Amorphous Interfaces of Semi-Crystalline Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we show the capabilities and potential of polarized resonant soft X-ray scattering (p-RSoXS) to measure chain density and orientation at the crystalline-amorphous interface in polylactic acid (PLA). |
Camille Bishop; Eliot Gann; Luana Rojas Zurita; Dean DeLongchamp; |
| 415 | XPCS Study of Dynamic Strain Response of Rubber Nanocomposite Containing Functionalized Chains Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present the microdynamics seen by XPCS for nanocomposites in which a fraction of lower molecular weight rubber chains are incorporated into the network as polymeric additives. |
Mark Foster; Dillon Presto; Hakan Aras; Suresh Narayanan; Sergio Moctezuma; Mark Sutton; |
| 416 | Cooperative Adsorption of Polymer Chains on Solid Surfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we visualize well-defined double-stranded DNAs (dsDNAs) with three lengths using atomic force microscopy and molecular dynamics simulations to clarify the adsorption mechanism of polymer chains onto solid surfaces. |
Yuma Morimitsu; Hisao Matsuno; Yukari Oda; Satoru Yamamoto; Keiji Tanaka; |
| 417 | Direct Observation of In-plane Diffusion of Isolated Polymethacrylates Chains on Solid Surfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Polymer composites have attracted a great deal of attention as light-weight structural materials with excellent mechanical properties. It has been widely accepted that the polymer … |
Masayuki KAWANO; Yuma Morimitsu; Satoru Yamamoto; Daisuke Kawaguchi; Keiji Tanaka; |
| 418 | Structural and Dynamical Heterogeneities of Isotactic Polypropylene Adsorbed Onto Carbon Fiber Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we will discuss the flattening process of the backbone and side groups at the interface and resultant heterogeneities in the structures and dynamics of the BPL. |
Yashasvi Bajaj; ZHIXING HUANG; Jan-Michael Carrillo; Yohei Nakanishi; Kiminori Uchida; Kazuki Mita; Takeshi Yamada; Bobby Sumpter; Maya Endoh; Tadanori Koga; |
| 419 | Nonlinear Network Deformation and Loop Effect Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: To investigate the effect of the network topology and establish contributions from different network structural elements, we developed a forensic-like framework utilizing network response to nonlinear deformations. |
Yuan Tian; Michael Jacobs; Andrey Dobrynin; |
| 420 | Effect of Penetrant Volume on Diffusion in Dense Crosslinked Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We aim to understand how the bond exchange mechanism impacts molecular transport. |
Tsai-Wei Lin; Charles Sing; |
| 421 | Effect of Crosslink Homogeneity on The Mechanochemical Activation of Elastic Polymer Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We find that networks with randomly and regularly crosslinked topologies exhibit different onsets of mechanochemical activation, even when the bulk moduli of the materials are the same. |
Victoria Kong; Jennifer Laaser; |
| 422 | Bond Compression Upon Chain Extension Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Upon compression of polymer networks, the extension of chains oriented in the “free” direction increases, while their bonds are getting more compressed. We demonstrate this phenomenon in molecular dynamics simulations and explain it by the fact that the pressure contribution to bond tension is dominant over a wide range of network deformations and polymer brush grafting densities, while chain conformations are still almost Gaussian. |
Liel Sapir; James Brock; Danyang Chen; Qi Liao; Sergey Panyukov; Michael Rubinstein; |
| 423 | Competition Between Phase Separation and Photopolymerization Kinetics During Polymeric Network Development Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This study aims to verify whether photoinitiator consumption is the sole reasoning behind the transmittance recovery. |
Lauren Zakrzewski; Yeongsik Kim; Younghan Song; Chang Ryu; Chulsung Bae; |
| 424 | Network Structure Influences Bulk Modulus of Nearly Incompressible Rubbery Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Soft materials represent a unique class of matter where the bulk modulus (~1 GPa) exceeds Young’s modulus ( … |
Christopher Barney; Olivia Long; Matthew Helgeson; Megan Valentine; |
| 425 | Theory of Structural Relaxation and Vitrification in Permanent and Associating Polymer Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work was performed in collaboration with Baicheng Mei, Ashesh Ghosh, Chris Evans, Charles Sing and Alexei Sokolov. |
Ken Schweizer; |
| 426 | Effective Medium Theory for Mechanical Phase Transition of Fiber Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, these sub-isostatic networks can become rigid under large strain via a critical phase transition. In this talk we present an effective medium theory (EMT) for this strain-controlled critical phase transition. |
Sihan Chen; Tomer Markovich; Frederick MacKintosh; |
| 427 | Role of Terminal Groups of Cis-1,4-polyisoprene in The Formation of Physical Cross-linking in NR — All-atom Simulation Study — Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Oochi et al[1] have elucidated the structures of six types of α terminals of NR by using a solid -state NMR study. |
Takashi Taniguchi; Mayank Dixit; |
| 428 | Discrete Polymer Network Models for Stimuli-responsive, Biological, and Curing Networks Via Free Energy Minimization Over Rotations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we show how a simple, intuitive assumption for how the RVE rotates relative to applied loading unifies many of the disparate polymer network models and recovers arguably the most successful model for elasticity, the 8-chain model. |
Matthew Grasinger; |
| 429 | Simulations of Non-equilibrium Processes in Polymer-based Materials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I will discuss my contributions to the field over the years, starting with simulations I performed as a postdoctoral associate in Mark Robbins’ lab. |
Arlette Baljon; |
| 430 | Coarse-grained Molecular Dynamics Simulation of Epoxy Network Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Epoxy as an important type of thermosetting polymers has been widely used as matrix materials in polymer-based composites. To understand the thermomechanical response of such materials, we have developed a coarse-grained model of epoxy network polymers based on EPON resin 862 with diethyltoluenediamine (DETDA) as the curing agent, using a force-matching method coupled with chemistry-informed grouping of atoms into coarse-grained beads, direct Boltzmann inversion, and potential of mean force calculations between atomic groups. |
Xi Hao; Chengyuan Wen; Gary Seidel; Shengfeng Cheng; |
| 431 | Simulation of Polymerization Induced Phase Separation in Model Thermosets Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The resin and other crosslinker have low T g. A coarse- grained model is developed with these features and with interaction parameters determined so that for either rubbery crosslinker length, the system is in the liquid state at the cure temperature. |
Mark Stevens; |
| 432 | Computer Simulation of Fatigue Failure in Amorphous Solids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We perform cyclic shear deformation of glasses over a range of strain amplitudes and investigate the dependence of the number of cycles to failure on the amplitude of deformation. |
Srikanth Sastry; Himangsu Bhaumik; Shivakumar Athani; |
| 433 | The Fundamental Physics of The Onset of Frictional Motion: How Does Friction Start? Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We experimentally demonstrate that rupture front nucleation is prefaced by slow nucleation fronts. |
Jay Fineberg; |
| 434 | A Nonlocal Contact Model for Adhesive Elastic-plastic Particles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present a contact model able to capture the response of interacting adhesive elastic-plastic particles. |
William Zunker; Kenneth Kamrin; |
| 435 | Spontaneous Friction Switches in Structural Superlubricity Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present results of atomic force microscopy based sliding experiments performed on gold nanoislands on graphite, a material system that exhibits structural superlubricity under ambient conditions [1]. |
Mehmet Baykara; Wai Oo; |
| 436 | Computational Approaches for Studying The Nucleation of Voids at The Nanoscale Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: By means of Replica Exchange Transition Interface Sampling (RETIS) we quantify the void nucleation process by sampling independent phase-space paths. Using this data, we aim to construct non-classical void nucleation theories suitable for far-from-equilibrium metals processing. |
Vicente Munizaga; Michael L. Falk; |
| 437 | Slip Avalanches on A Conical Bead Pile With Cohesion Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we extend the comparison between the experiment and the model to characteristics of individual avalanches, such as avalanche duration and extent on the pile, by using the particle image velocimetry to analyze the avalanche motion. |
Susan Lehman; Karin Dahmen; |
| 438 | Mechanical Response of Particulated Granular Materials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we employ discrete element method simulations to identify and measure the elastic moduli of all configurations for small numbers of monodisperse, frictionless spheres confined within single voxels with arbitrary shapes. |
Anne Xia; Dong Wang; Jerry Zhang; Mark Shattuck; Corey O’Hern; |
| 439 | Particulated Granular Metamaterials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we seek granular materials with shear moduli that decrease with increasing pressure even in the large-system limit. |
Dong Wang; Jerry Zhang; Weiwei Jin; Annie Xia; Nidhi Pashine; Rebecca Kramer-Bottiglio; Mark Shattuck; Corey O’Hern; |
| 440 | Probing of The Buckling of Spherical Shells with A Distribution of Imperfections Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We investigate the buckling of spherical shells containing a random distribution of defects. |
Arefeh Abbasi; Fani Derveni; Yuexia Lin; Pedro Reis; |
| 441 | Soft Pump Producing A Rapid Flow Using Shell Buckling Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, they also had difficulties actuating stiff pneumatic devices and inducing rapid motion. Here, we introduce a soft pump, overcoming these limitations by using the snap-through instability and finely controlling the performance using an electro-active polymer. |
Byungho Lee; Anna Lee; |
| 442 | Refinement of Training Schemes for Machine-Learning Interatomic Potentials and Its Applications Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: It plays a role in suppressing the extra heat flux generated by the arbitrariness. In the talk, I will discuss the recent progress in the development of MLIP training scheme and its applications. |
Kohei Shimamura; |
| 443 | Benchmarking Machine-learned Interatomic Potential Methods for Reactive Molecular Dynamics at Metal Surfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we compare different families of MLIPs, from atomic cluster expansion (ACE), invariant DNN-based SchNet to novel equivariant neural networks such as PaiNN and MACE on the example of reactive molecular hydrogen scattering on copper. |
Wojciech Stark; Julia Westermayr; Cas van der Oord; Gabor Csanyi; Reinhard Maurer; |
| 444 | Fast and Scalable Uncertainty Estimates in Deep Learning Interatomic Potentials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this project, we propose a method to estimate predictive uncertainty using only a single neural network along with a computationally-inexpensive Gaussian Mixture Model, eliminating the need for an ensemble. |
Albert Zhu; Simon Batzner; Albert Musaelian; Boris Kozinsky; |
| 445 | Predicting Vapor-Liquid Equilibria and Phase Transitions with Machine-Learned Interatomic Potentials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The present work has trained state-of-the-art ML-IAPs (SNAP, POD, Allegro) for Al over a wide range of phase regimes (0.2-3.0 and 933-10,000 ) that are challenging to model with any other simulation method. We demonstrate the efficiency of these atomic representations by reaching quantum-mechanical accuracy in small dataset and then perform large-scale molecular dynamics simulations to predict the vapor-liquid phase equilibrium and the critical point. |
Mitchell Wood; Normand Modine; Dionysios Sema; Ember Sikorski; Stan Moore; Nicolas Hadjiconstantinou; |
| 446 | Numerical Modeling of Hydrogen Absorption in Metal Hydrides Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We will present preliminary results to evaluate the accuracy and speedup enabled by this approach. |
Olivier Nadeau; Gabriel Antonius; |
| 447 | Carbon Fiber Reinforced Polymer (CFRP) Coated with 2D TMDs – WSe2, and Topological Insulator, Bi2Se3, Films for EMI Shielding Applications Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: At the same time, carbon composites are excellent EMI shielding materials, so we designed heterostructures of TMD and CFRP to get the combined efficiency. |
Jyotsna Das; Alexander Samokhvalov; Mark Mirotznik; Shashi Karna; Dereje Seifu; |
| 448 | PAAMPSA/PANI/PA Composite with AgnW Fillers Demonstrates Unprecedented Mechanical Performance Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Wearable sensors, stretchable electronics, and many soft robotics materials must have a sufficiently high balance of conductivity, stretchability, and robustness. Intrinsically … |
Colton Duprey; |
| 449 | Theory of Electroactive Carbon Nanothreads Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we present a family of nanothreads that exhibit potential ferroelectricity, high dielectric constant, and memory effect. |
Bohan Xu; |
| 450 | A Method for Production of Binder-Free Graphite Thin Films on Polyimide for Flexible Electronics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we optimized the interaction between graphite and polyimide to develop an adhesive thin film of graphite on DuPont Kapton (PI). |
Gimhani Wickramasinghe; Rangana Manamendra; Darshana Weerawarne; Dilushan Jayasundara; |
| 451 | Up-converted Coherent Light Emission Inside of Polar Nematic Liquid Crystalline Media Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Additionally, due to its fluidity, we can dope FNLCs with other functional molecules, enabling modification of their physical properties. By taking such advantages of PNLCs, we herein demonstrate a flexible up-conversion system of coherent light emission. |
DAICHI OKADA; Fumito Araoka; Hiroya Nishikawa; |
| 452 | 1D Structures of Δ-PVDF for Self-powered Nanogenerator and Machine Learning Applications Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: So, to achieve the δ-phase nucleation in different morphologies, we have demonstrated the fabrication of predominant δ-phase based nanofibers. |
Varun Gupta; |
| 453 | Enhanced Nanoscale Piezoresponse and Ferroelectricity in Polymer Nanofiber Through Interfacial Interaction Controlled Molecular Dipole Orientation Using Perovskite Dopant Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Amidst the worldwide growing energy demand, mechanical to electrical energy conversion through piezo- and ferroelectric effect can be a feasible solution. In this quest, … |
Zinnia Mallick; |
| 454 | Single-ion Polymer Electrolytes Via Macromolecular Engineering Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we introduce the use of novel, stiff/glassy nanostructured polyanion particles, composed of polyanion miktoarm star copolymers of poly(styrene-4-sulfonyltrifluoromethylsulfonyl) imide lithium, PSTFSILi, arms that are complement to longer ion conducting poly(ethylene oxide), PEO, arms, (PSTFSILi) n(PEO) n, where n ≈ 22, attached to a poly(divinylbenzene), PDVB, crosslinked core as additives to liquid, oligomeric poly(ethylene oxide), PEO, electrolytes for the synthesis of SI-SPEs that are single-ion by design while exhibit an unparalleled combination of high shear modulus and Li-ion conductivity. |
Emmanouil Glynos; Georgia Nikolakakou; Christos Pantazidis; Georgios Sakellariou; |
| 455 | Influence of Polymer Architecture on Phase Diagram, Ionic Conductivity, Free Volume, and Rheology in Poly (ethylene Oxide) (PEO) Based Liquid Polymer Electrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This study deals with the application of various architectures (linear, stars, and hyper-branched) of PEO and lithium contents to explore the effects of polymer architecture and salt content on the glass transition (T g), crystallization, mechanical properties, and ionic conductivity of PEO based electrolytes. |
Recep Bakar; Saeid Darvishi; Erkan Senses; |
| 456 | Lifetime of Metastable Knots in Polyampholyte Chains Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we use simulations of knotted polymer chains to show that variation in the charge distribution of a polyampholyte chain with zero net charge leads to large variation in the resulting knot dynamics, with some charge distributions resulting in long-lived metastable knots that escape the (open-ended) chain on a timescale that is much longer than that for knots in electrically neutral chains. The knot dynamics in such systems can be described, quantitatively, using a simple one-dimensional model where the knot undergoes biased Brownian motion along a “reaction coordinate”, equal to the knot size, in the presence of a potential of mean force. |
masoumeh ozmaeian; Dmitrii Makarov; |
| 457 | Magneto-active Check Valve with A Reprogrammable Cracking Pressure Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: The check valve is essential for controlling flow direction, flow rate, and pressure distribution in a fluidic system. The pressure at which the flap opens in the check valve, … |
Chaemin Kim; Anna Lee; |
| 458 | Polymeric Nanoparticles with Dual Responsive Interlayers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We developed linear and bottlebrush amphiphiles with boronic acid blocks as interlayers. |
Jeonghun Lee; KARLA CURENO HERNANDEZ; Sunghoon Kim; Margarita Herrera-Alonso; |
| 459 | Photocontrol of Pattern Formation and Hysteresis Loops in Polymer Gels with Host-guest Interactions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We focus on dynamic control of pattern formation in hydrogels with host-guest interactions. |
Olga Kuksenok; Yao Xiong; |
| 460 | A Hybrid In-silico and Experimental Kinetics Study of Glycidyl Methacrylate-functionalized N-vinylcaprolactam Microgel Synthesis Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this contribution, we study the synthesis of glycidyl methacrylate-functionalized N-vinylcaprolactam-based microgels. |
Thomas Nevolianis; Nadja Wolter; Luise Kaven; Lukas Krep; Can Huang; Adel Mhamdi; Alexander Mitsos; Andrij Pich; Kai Leonhard; |
| 461 | Polymer Chains Via Control of Intermolecular Assembly Pathway of Peptide Bundlemers Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Peptides were computationally designed to self-assemble into homotetrameric, anti-parallel coiled coils, or ‘bundlemers’. Specifically, peptides with a net +4 charge per peptide, … |
Yao Tang; Kenneth Crane-Moscowitz; Nairiti Sinha; Rui Guo; Jeffery Saven; Christopher Kloxin; Darrin Pochan; |
| 462 | Stimuli-Triggered Stereoselective Relaxations in Diels-Alder Polymer Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Diels-Alder polymers (DAP) networks have the unique ability to reconfigure their permanent shape through the mechanism of network plasticity with minimal macroscopic creep. Using a combination of DSC and variable-temperature FTIR techniques, we demonstrate that the rate of bond reshuffling is dependent on the stereochemistry of DA junctions and that this rate is faster for endo DA isomers as compared to their exo counterparts. |
Svetlana Sukhishvili; |
| 463 | Towards Subcritical Phase Transitions in Liquid Crystalline Elastomers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The work presented in this talk will highlight the use of mesogenic moieties that contain hydrogen-bonding carboxylic acid groups within the mesogenic monomer core. |
Timothy White; |
| 464 | Programming Shape Transformations of Gel-based Micro-helices Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we present a new approach to fabricating shape-shifting micro-helices from homopolymer films of poly(acrylic acid) (PAA) by electron-beam lithography. |
Xinpei Wu; Matthew Libera; |
| 465 | 3D Simulation of Self-growing Polymer Gels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We utilize the gel lattice-spring approach to develop the 3D computational model of self-growing polymer gels. |
Santidan Biswas; Victor Yashin; Anna Balazs; |
| 466 | Janus Magnetoelastic Membrane Swimmers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Herein, inspired by the motility strategies of living microorganisms, such as flagella, cilia, and euglenoid, we focus on the design and propulsion mechanisms of Janus magnetoelastic membrane swimmers. |
Yao Xiong; Hang Yuan; Monica Olvera De La Cruz; |
| 467 | Novel Ice-Shedding Surfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In the first part of the talk, I will discuss how, irrespective of material chemistry, by tailoring the crosslink density of different elastomeric coatings, and by enabling interfacial slippage, it is possible to systematically design coatings with extremely low ice-adhesion ( tice< 0.2 kPa). |
Anish Tuteja; |
| 468 | Durable Icephobic Coatings Exhibiting Very Low Interfacial Toughness Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we describe a novel coating composed of a lubricant-reacted porous structure that simultaneously enables both low ice adhesion strength (=32kPa) and the lowest interfacial toughness (=0.035 J/m 2) ever reported. |
Fan-Wei Wang; Jiayue Huang; Anish Tuteja; |
| 469 | Development of Functional Surfaces with Controllable Wettability and Water Adhesion By Utilizing Appropriate Chemistry and Hierarchical Roughness Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We use polymer nanocomposite coatings onto polymeric substrates, where the inorganic particulate additives create the appropriate roughness and the polymer matrix provides the proper functionality, which can produce superhydrophobic and water repellent surfaces as well as superoleophobic ones. |
Spiros Anastasiadis; Fanourios Krasanakis; Kiriaki Chrissopoulou; Minas Stylianakis; Thaleia-Michaela Chatzaki; Franceska Gojda; Lampros Papoutsakis; Michalis Loulakis; Stelios Tzortzakis; |
| 470 | Adhesion of Nanocarriers to Endothelial Cells Under Flow Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Design of nanocarriers (NCs) for targeted drug delivery to endothelial cells is a biomedical and pharmacological challenge. |
Saeed Akbari; Joao Maia; |
| 471 | Polydispersity in Curved Polymer Brushes, in The Strong-stretching Limit Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: These circumstances however aren’t as experimentally relevant, as monodisperse brushes are difficult to construct and brushes are found in curved geometries most of the times. Here, we attempt to resolve this issue by extending the already established mean-field theory describing polymer brushes developed by Cates et.al. |
Marios Giannakou; |
| 472 | Suppressed Transition and Dynamic Self-asembly of Ionic Superdiscs in Cylindrical Nanochannels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we investigate the molecular mobility and electrical conductivity of a columnar ionic liquid crystal confined in self-ordered nanoporous alumina oxide membranes of pore size ranging from 180 nm down to 25 nm. |
Mohamed Aejaz Kolmangadi; Andreas Schoenhals; |
| 473 | Effects of Charge Fraction on The Swelling Behavior of Weak Polybasic Brushes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we investigate the influence of charge fraction on the swelling behavior of weak polybasic brushes by changing the pH in the 3 – 10 range using a combination of in-situ ellipsometry and streaming zeta potential measurements. |
Shahryar Ramezani Bajgiran; Farshad Safi Samghabadi; Jacinta Conrad; Amanda Marciel; |
| 474 | Study of Swelling Behavior of Sustainable Chitosan Nanocomposite Thin Films Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Humidity sensors have attracted significant attention in recent years in both the academic and industrial field. Recently, sensors made of synthetic thermoplastic polymers and … |
Wafa Tonny; Samuel Wallaert; Justin Smith; Ali Ammar; Mohammad Tuhin; Venkatesh Balan; Megan Robertson; Alamgir Karim; |
| 475 | Eliminating The Tg- and Fragility-Confinement Effects in Polystyrene Films with Very Low Levels of 2-Ethylhexyl Acrylate Comonomer Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: With nanoconfinement below 50 nm thickness, polystyrene (PS) films exhibit glass transition temperature ( T g) values reduced relative to T g(bulk). Such effects are eliminated … |
Tong Wang; Sumeng Hu; Sipei Zhang; Asghar Peera; John Reffner; John Torkelson; |
| 476 | Statistical Field Theory for The Free Energy of An Electro-mechanical Polymer Chain: Non-local Dipole-dipole Interactions in The Fixed Applied Field Ensemble Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We introduce a self-consistent formulation that enables us to address the setting of constant applied electric field ensembles that transforms the nonlocal interactions into a PDE constraint corresponding to Gauss’ equation. |
Pratik Khandagale; Carlos Garcia Cervera; Gal deBotton; Carmel Majidi; Kaushik Dayal; |
| 477 | Diffusion of Brønsted Acidic Dopants in Conjugated Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Depth-dependent doping levels in electrically doped organic semiconductor films are controlled by the relative rates of reaction and diffusion of the dopant. Many semiconductor … |
Phong Nguyen; Rachel Segalman; Michael Chabinyc; |
| 478 | Sequential Infiltration Synthesis of Silicon Dioxide for Nanopatterning – In Situ FTIR Study Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we are presenting SiO 2 material deposition using sequential infiltration method (SIS), a process that has been demonstrated to make inorganic nanopatterns using a polymer as a template. |
Mahua Biswas; Vepa Rozyyev; Amelia Korveziroska; Uttam Manna; Anil Mane; Jeffrey Elam; |
| 479 | A Chiral Luminophore Guided Self-assembly of Achiral Block Copolymer for Ultra-amplification of Circularly Polarized Luminescence Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Herein, this work aims to demonstrate the feasibility to greatly amplify the chiroptical signals by self-assembly of achiral block copolymer (BCPs) polystyrene- b-poly(ethylene oxide) (PS- b-PEO) associated with chiral luminophores, R/S-1,1’-Bi-2-naphthol (R/S-BINOL), forming helix phase (H*) driven by chiral communication via host-guest interaction at various stages from self-assembly. |
Puhup Puneet; Rong-Ming Ho; Sheng-Wei Shao; |
| 480 | Effects of The Lamellar Microstructure on The Conformations of Chiral Block Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we employ particle-based simulations to study compute thermodynamic and conformational metrics to study the behavior of chiral molecules in a lamellar microstructure. |
Natalie Buchanan; Poornima Padmanabhan; |
| 481 | Design and Growth of Bundlemer Brushes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have previously used this tunability to design bundlemers that self-assemble into different preprogrammed 2-D lattices as well as covalently link bundlemers in a step growth like reaction into high aspect ratio rigid rods with similar dimensions and rigidity to single wall carbon nanotubes. In this talk I will discuss how we can leverage this tunability to design and control bundlemer binding to inorganic colloids. |
Matthew Langenstein; Darrin Pochan; Kenneth Crane-Moscowitz; Christopher Kloxin; Eric Furst; |
| 482 | Two-step Devitrification of Ultrastable Glasses Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Recent experiments studied the macroscopic devitrification of ultrastable glasses into liquids upon heating but lacked microscopic resolution. We use molecular dynamics simulations to analyse the kinetics of this transformation. |
Mark Ediger; Camille Scalliet; Cecilia Herrero; Ludovic Berthier; |
| 483 | Surface Mediated Formation of Stable Glasses Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we investigate the thermodynamic and kinetic stability of SGs produced by two structurally similar molecules with different equilibrium shapes and molecular level flexibility. |
Zahra Fakhraai; Peng Luo; Aixi Zhang; Alex Moore; Sarah Wolf; Shivajee Govind; Haoqiang Zhao; Patrick Walsh; Robert Riggleman; |
| 484 | Evidence of Sub-TK Fictive Temperatures Glasses: Vapor Deposited Amorphous Perfluoropolymer and A 50 Million-year-old Amber Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we show results from two non-crystallizable ultra-stable glasses (evidenced by greatly reduced fictive temperatures) that give new insights into the conundrum of the Kauzmann paradox. |
Gregory McKenna; Dejie Kong; Amer El Banna; Yan Meng; |
| 485 | Stable Film Creation By Swept Swapping in Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we efficiently create films of size-dispersed, Lennard-Jones atoms which are stabilized down to 0.75 of the glass transition temperature (Tg), have density increased up to 3% and stability up to 500 times the as-deposited film. |
RICHARD STEPHENS; |
| 486 | Characterization of Component Segregation in Co-deposited Glasses of TCTA and Ir(ppy)3 Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we characterized co-deposited glasses of Ir(ppy) 3 and TCTA by varying the mass ratio and deposition temperature. |
Yejung Lee; Jianzhu Ju; Shinian Cheng; Junguang Yu; Lian Yu; Mark Ediger; |
| 487 | Surface Equilibrium Mechanism Controls The Stability of Co-deposited Organic Semiconductor Glasses Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we investigate the effects of substrate temperature ( T substrate) on co-deposited glasses of m-MTDATA and TPD. |
Shinian Cheng; Yejung Lee; Junguang Yu; Lian Yu; Mark Ediger; |
| 488 | Relaxation Dynamics of Stable GlassesJavier Rodriguez-Viejo Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: The understanding of the glass transition remains incomplete after almost a century of intense investigation and debate. The conventional view is that the transition from glass to … |
Javier Rodriguez; Marta Gonzalez-Silveira; Cristian Rodriguez-Tinoco; Jordi Fraxedas; Ana Vila-Costa; Marta Rodriguez-Lopez; Marta Ruiz; |
| 489 | Molecular Orientation of Vapor-deposited Organic Glasses at Buried Heterointerfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work provides potential strategies for realizing control over interfacial properties, a critical step in governing emergent behavior for applications involving ultra-stable glasses. |
Thomas Ferron; Marie Fiori; Mark Ediger; Dean DeLongchamp; Daniel Sunday; |
| 490 | PVD Glasses: Beta Process Rejuvenation Without Loss of Stability Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Stable vapor-deposited films of organic glass-forming molecules transform to the supercooled liquid state in distinct ways compared to their liquid-cooled glass counterparts, … |
Megan Tracy; Benjamin Kasting; Ranko Richert; Mark Ediger; |
| 491 | Β-NMR Studies of The Depth and Temperature Dependence of Dynamics in Normal and Ultrastable Polystyrene Glasses Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have used β-detected nuclear magnetic resonance (β-NMR) with implanted spin-polarized 8Li + to study the depth and temperature dependence of the γ-relaxation of polystyrene (PS), which involves motion of the phenyl side groups. |
Iain McKenzie; Derek Fujimoto; Victoria Karner; Ruohong Li; W MacFarlane; Ryan McFadden; Gerald Morris; Adam Raegen; Monika Stachura; Michael Thees; John Ticknor; James Forrest; |
| 492 | Formation of Stable Glasses on Soft Substrates Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we demonstrate substrate rigidity as a new parameter to control glass stability and structure. |
Peng Luo; Sarah Wolf; Shivajee Govind; RICHARD STEPHENS; Donghyup Kim; Cindy Chen; Zahra Fakhraai; |
| 493 | Using Ultrafast Differential Scanning Calorimetry to Correlate Fragility to Ultrastability in Amorphous Chalcogenide Films Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Amorphous materials, even of the same composition, can have highly variable material properties due to the local structure. This local structure also leads to the so-called … |
Christopher Madsen; Manel Molina-Ruiz; Donez Horton-Bailey; Thomas Dauer; Bengisu Yasar; Frances Hellman; |
| 494 | Chain Flexibility Effect on Complex Coacervate Core Micelles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we investigated the structure of C3Ms formed by mixing of block copolyelectrolytes having different lengths characterized by dynamic light scattering (DLS) and small angle X-ray scattering (SAXS) measurements. |
Taeyoung Heo; SooHyung Choi; |
| 495 | Surface Layer Adsorption and Bulk Association of Mucins in Human Airway Mucus Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: The airway surface layer lines the respiratory tract, simultaneously trapping inhaled particulates and facilitating their removal from the lung. Secreted gel-forming mucins, which … |
Scott Danielsen; Michael Rubinstein; |
| 496 | Membrane-mediated Interactions Between Deformable Nanoparticles on Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we use computer simulations to investigate the interactions between deformable, hinge-like nanostructures and lipid membranes. |
Nikhil Nambiar; Steven Abel; |
| 497 | Relaxational Dynamics of The Size Interconversion of Virus Capsids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We apply a simple relaxational model that ignores the impact of any nucleation barriers, and finds a reasonable agreement between theory and experiment with a minimal number of adjustable parameters. |
Alexander Clark; Paul Van der Schoot; Roya Zandi; |
| 498 | Thermal Stability and Secondary Aggregation in Geometrically-frustrated Assembly Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We here consider a simple model of a frustrated 1D incommensurate chain at finite temperature. |
Michael Wang; Gregory Grason; |
| 499 | Biophysical Modeling of SARS-CoV-2 Assembly: Genome Condensation and Budding Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we develop a model to explore the mechanisms of RNA condensation by structural proteins, protein oligomerization and cellular membrane–protein interactions that control the budding process and the ultimate virus structure. |
Siyu Li; Roya Zandi; |
| 500 | Impact of Cross-linking on The Structural and Interfacial Properties of Surfactant Micelles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Structural analysis shows that pure tyloxapol systems are relatively spherical in shape and become more aspherical by replacing tyloxapol molecules with a corresponding number of Triton X-100 monomers. |
Hrachya Ishkhanyan; |
| 501 | Aggregation Vs. Condensation in A Lattice Model of Geometrically Frustrated Assembly Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We consider a minimal lattice model of geometrically frustrated assembly and use it to study the statistical mechanics of GFA at variable temperature and concentration. In this talk, we focus on how these systems can escape this size limitation via a condensation transition to a macroscopic bulk phase that is characterized by a finite density of topological defects. |
Nicholas Hackney; Chris Amey; Gregory Grason; |
| 502 | High-precision Measurement and Inference of Short-ranged Colloidal Interactions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We demonstrate an alternative method based on holographic microscopy and Bayesian inference. |
Caroline Martin; Solomon Barkley; Lev Bershadsky; Ella King; Michael Brenner; Vinothan Manoharan; |
| 503 | End-to-end Base Stacking Drives Liquid Crystalline Phase Formation in "gapped" DNA Constructs Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: By performing SAXS/WAXS measurements for temperatures in the range of 5 to 65°C, we determined the thermal melting temperature ( Tm) of the end-to-end and side-by-side interactions that stabilize the positional order for DNA constructs, which differ in their terminal base pairs (AT-AT, AT-GC, or GC-GC) but are otherwise identical. We report remarkable variations in thermal stability (up to 25 °C shift in Tm) of these interactions, and the accompanying smectic order, due to these single base-pair alterations. |
Sineth Kodikara; Prabesh Gyawali; Hamza Balci; Samuel Sprunt; |
| 504 | Dynamically Tuning The Membrane Lipid Composition Can Control Macromolecular Assembly Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we use computational modeling to quantify how macromolecular self-assembly can be dynamically tuned via the composition of the plasma membrane and protein stoichiometry. |
Jonathan Fischer; |
| 505 | The Role of Inter-particle Cohesive Stiffness in Determining The Size and Nature of Self-limiting, Geometrically-frustrated Assemblies Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Recently, the “curvamer” model was introduced to study self-limitation in 1D stacks of deformable, shell-like particles, where an elastic energy emerges from bending costs in stacks of uniformly spaced particles. |
Kyle Sullivan; Nabila Tanjeem; Montana Minnis; Ryan Hayward; Gregory Grason; |
| 506 | Frustrated Self-Assembly of Hyperbolic Crystals from Icosahedral Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we present an analytical theory of icosahedral NP self-assembly based on the non-Euclidean crystal {3,5,3} in 3-hyperbolic space. |
Nan Cheng; Kai Sun; Xiaoming Mao; |
| 507 | Controlled 2D and 3D Self-assembly of Short Fibers for Additive Manufacturing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we present an inexpensive method of aligning and consolidating short fibers into different shapes, such as discs, spheres, triangles, and needles. |
Thamires Lima; Zachary Hinton; Clayton Francis; Nicolas Alvarez; |
| 508 | Interplay Between Topology and Confinement in Active Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: For example, a coil-to-globule-like transition takes place for isolated active chains in three dimension, highlighted by a marked change of the scaling exponent of the gyration radius[1]. Driven by the relevance of confinement and topology on the structural and dynamical properties of passive systems, we investigate the interplay between these latter and activity for tangentially active polymers. |
Emanuele Locatelli; |
| 509 | Ultrafast Reversible Self-assembly of Living Tangled Matter Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Combining ultrasound imaging, theoretical analysis and simulations, we develop and validate a mechanistic model that explains how the kinematics of individual active filaments determines their emergent collective topological dynamics. |
Vishal Patil; Harry Tuazon; Emily Kaufman; Tuhin Chakrabortty; David Qin; Jorn Dunkel; Saad Bhamla; |
| 510 | Navigating Disordered Landscapes with Touch: Lessons from Blackworms Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In a regime where the passage width is greater than the worm width, the frequency with which the worm’s head locates the passage is found to increase rapidly before essentially becoming constant with increasing width. We discuss this crossover in terms of the time scale and distance over which the head loses contact with the boundary. |
Arshad Kudrolli; Animesh Biswas; |
| 511 | Tunable Stiffness Exhibited in Entangled Collectives of Aquatic Worms and Biomimetic Soft Robots Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: The California blackworm (Lumbriculus variegatus) is an aquatic worm that forms aggregate structures called worm blobs by twisting their slender bodies around other worms of its … |
Ishant Tiwari; Harry Tuazon; Junghan Kwon; Robert Wood; Justin Werfel; Saad Bhamla; |
| 512 | Aggregation of Entangled Active Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using computer simulation that employs a three-dimensional model for entangled active polymer, we study the individual dynamics of the polymer and the aggregation mechanism. |
Saad Bhamla; Prathyusha K R; |
| 513 | Chromatographic Separation of Active Polymer-like Worm Mixtures By Contour Length and Activity Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we investigate if mixtures of active polymers can be separated in a similar manner based on their activity. |
Antoine Deblais; Tess Heeremans; Daniel Bonn; Sander Woutersen; |
| 514 | Relating The Steady States of 3D Dry Active Nematics to Microscopic Parameters Through Particle-based Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we perform large-scale particle-based simulations of 3D dry active nematic filaments to understand the connection between microscopic simulation parameters, such as the bending stiffness and active force amplitude, and the emergent coarse-grained parameters. |
Yingyou Ma; Michael Hagan; Aparna Baskaran; Chris Amey; |
| 515 | Reorientation Dynamics in Simulated Pair-interactions of Flexible, Penetrable, Active Filaments Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Recent gliding assay experiments on microtubules and actin show that long-range ordered (LRO) active nematic phases of self-propelled filaments can emerge through a combination of collision-induced alignment and crossover events. To gain understanding about how this LRO arises from microscopic interactions, we employ Brownian dynamics simulations of flexible, self-propelled bead-spring chains with a finite energetic penalty for overlap, which permits crossovers when the incident angle of collision is sufficiently large. |
Nathan Prouse; Madhuvanthi Athani; Julian Davis; Patrick Noerr; Niranjan Sarpangala; Ajay Gopinathan; Kinjal Dasbiswas; Daniel Beller; |
| 516 | Microtubules in Elastic Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We study the motion of gliding microtubules in 3D networks. |
Isabel Ruffin; Zvonimir Dogic; |
| 517 | Conformational Dynamics of A Flexible Polymer in A Confined Active Fluid Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work demonstrates how interactions between active and passive structures can lead to large-scale organization in a general setting. |
Scott Weady; David Stein; Michael Shelley; Alexandra Zidovska; |
| 518 | Asters, Bilayers and Foams in Coarse-grained Model of Active Filament Interactions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We propose a microscopic model for motor-mediated filament-filament interactions and rigorously derive a continuum theory for the system. |
Filippo De Luca; Ivan Maryshev; Erwin Frey; |
| 519 | Mesoscale Polymer Ribbon Arrays: Biofilm-Inspired, Flexible, Fibrillar Adhesives Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Biofilm formation and surface fouling cause many problems in aqueous environments. Thin, filamentous pili are one of the many tools leveraged by bacteria to adhere to numerous … |
Demi Moed; Alfred Crosby; |
| 520 | Active Foams Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: These disordered cellular solids are always out of equilibrium – the edges constituting the foam appear and disappear, changing the morphology and topology of the whole network. Here we introduce a classification of such structures based on the dominating orientational order. |
Ivan Maryshev; Filippo De Luca; Erwin Frey; |
| 521 | Glass Transition Behavior of Crosslinked Epoxy/Amine Resins with Prospective Self-Healability Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using large scale coarse-grained molecular dynamics simulations, we calculate the thermomechanical properties of highly branched polymers with hydrogen-bonding end groups. |
Cody Bezik; Amalie Frischknecht; |
| 522 | Catalytic Control of Crystallization in Dynamic Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we explore how bond exchange can be used to control crystallization in polymer networks. |
Alexa Kuenstler; Christopher Bowman; |
| 523 | Impacts of Network Heterogeneity on The Macroscopic and Molecular-Scale Force Responses of Polymer Network Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We find that the random networks exhibit a significantly earlier onset of strain hardening relative to regular networks with the same modulus, which we attribute to the short strands in the random networks reaching their maximum extension at relatively low strains without being able to relax. |
Jennifer Laaser; |
| 524 | Linear Viscoelasticity of Polybutadiene Vitrimers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we experimentally investigate the rheological behavior of polybutadiene (PB) vitrimers which bear cross-links that undergo dioxaborolane metathesis. |
Ralm Ricarte; Sachin Shanbhag; |
| 525 | Control of Hierarchical Relaxation in Acrylate Vitrimers with Kinetically Distinct Dynamic Bonds Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: The rheological relaxation characteristics of a polymer network will determine its macroscopic viscoelastic properties and potential applications. When a polymer network exhibits … |
Laura Porath; Nabil Ramlawi; Randy Ewoldt; Christopher Evans; |
| 526 | Effect of Salt and Crosslinking Density on Viscoelasticity and Conductivity of Vitrimers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, vinylogous urethane (VU)-based vitrimers containing Li salts were prepared with different crosslinking densities using precise linker lengths of ethylene glycol. |
Seongon Jang; Brian Jing; Chengtian Shen; Charles Schroeder; Christopher Evans; |
| 527 | Influence of Topological Defects on The Rheology and Dynamics of Vitrimers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We explore the effects of polymer chain structures on the stress relaxation and shear viscosity. |
Jianshe Xia; |
| 528 | Effect of Network Defects on The Microscopic Dynamics of Vitrimers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we will use a hybrid molecular dynamics-Monte Carlo simulation to investigate the effects of various degrees of defects on the microscopic dynamics of the vitrimer matrix. |
Harsh Pandya; Fardin Khabaz; |
| 529 | Spatiotemporal Vitrimerization of A Thermosetting Polymer Using A Photo-Latent Catalyst Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: To this end, an approach to spatiotemporally converting a thermoset into a processable vitrimer is presented. |
Chae Bin Kim; |
| 530 | Unravelling The Mechanism of Viscoelasticity in Linear and Pendant Polymers with Phase Separated Dynamic Bonds Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Understanding how viscoelastic properties of these materials are controlled by the hierarchical structure is crucial for engineering of materials for various future applications. Here we studied such systems made from telechelic polydimethylsiloxane chains, as well as pendant functionalized chains by employing a broad range of experimental techniques. |
Peyton Carden; |
| 531 | Reactive Bead-Spring Models for Associative Polymer Networks Far From Equilibrium Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We use this model to simulate canonical Kremer-Grest bead-spring melts with binary associative bonds of varying cohesive strength. |
Songyue Liu; Thomas O’Connor; |
| 532 | Active Material Design for Mechanically-Robust, Efficient Polymer Solar Cells Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Considering the technical standards ( e.g., mechanical robustness) required for wearable electronics, which are promising application platforms for organic solar cells, the … |
Bumjoon Kim; |
| 533 | Radical Polymer-based Mixed Conductors and Their Application to Bioelectronic Ocular Sensors Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Optoelectronically active polymers have made critical inroads in many solid-state electronic devices (e.g., organic field-effect transistors), and excitingly, macromolecules … |
Bryan Boudouris; Ho Joong Kim; |
| 534 | Evidence of Pure Spin-current and First Organic Spin-Valve Based on Non-conjugated Radical Polymer Glass Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Specifically, our effort demonstrates the coupled materials and device characterizations that are necessary to establish the fundamental structure-function des |
Hamas Tahir; Carsten Flores-Hansen; Sheng-Ning Hsu; Zihao Liang; Neil Dilley; Brett Savoie; Bryan Boudouris; |
| 535 | Local Chemical Enhancement and Gating of Organic Mixed Ionic-electronic Transport Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we demonstrate that hydrophilic molecules local to an interfacial OMIEC nanochannel can accelerate ion transport with record ion mobilities surpassing electrophoretic transport by more than an order of magnitude. |
Brian Collins; Tamanna Khan; Terry McAfee; Awwad Alotaibi; Thomas Ferron; |
| 536 | Impact of Molecular Weight and Size Distribution on The Performance of PEDOT:PSS in Organic Electrochemical Transistors Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, I will share how we used controlled radical polymerization to synthesize PSS with precise molecular weights and dispersity to establish their effect on the performance of PEDOT:PSS in OECTs [Lo et al. |
Laure Kayser; |
| 537 | Investigating Mass and Charge Transport in Organic Electrochemical Transistors for Use As Explosives Sensors Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Investigating Mass and Charge Transport in Organic Electrochemical Transistors for Use as Explosives Sensors. |
Aaron Woeppel; Bryan Boudouris; Stephen Beaudoin; |
| 538 | Water-processed Dielectric Layer for Eco-friendly High Performance Organic Thin Film Transistors Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, an organic thin film transistor with a dielectric layer was made using a substance known as gum arabic (GA). |
Mi Ri Nae Lee; Yongju Lee; SWARUP BISWAS; Hyeok Kim; |
| 539 | Extending The Measurement of Domain Purity in Organic Photovoltaic Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation we will describe our efforts to deconvolute contributions from compositional heterogeneity and orientational heterogeneity in the RSoXS phase purity measurment. |
Peter Dudenas; Yilei Wu; Sebastian Scneider; Christina Cheng; Michael Toney; Alberto Salleo; Zhenan Bao; Dean DeLongchamp; |
| 540 | Using Discotic Liquid Crystals to Prepare Biaxially Textured Organic Semiconductors Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We report here a facile new method to create biaxially textured crystals of organic semiconductors by directing the self-assembly of the precursor discotic liquid crystalline phase. |
Kushal Bagchi; Tadej Emersic; Zhongyang Wang; Wen Chen; Juan De Pablo; Paul Nealey; |
| 541 | A Circuit Model Approach for Donor Acceptor Solar Cells Exhibiting Disorder Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we present a new equivalent circuit for the dark IV curves of bilayer organic solar cells, which can accurately fit the IV curve across the entire voltage range, from low voltage through values substantially higher than open circuit. |
Cassandra Bogh; Ayla Osgood; Kathleen Smith; Xinrui Zhu; Benjamin Zank; Dhandapani Venkataraman; Roderick MacKenzie; Katherine Aidala; Alexi Arango; |
| 542 | Carrier Screening of Dopant Coulomb Interactions in Organic Electronics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our study refines the understanding of fundamental processes in doped polymers and enable their easier engineering for electronic, thermoelectric, and photovoltaic applications. |
Zlatan Aksamija; Muhamed Duhandzic; Dhandapani Venkataraman; Michael Lu Diaz; Subhayan Samanta; |
| 543 | Designing High-Spin Small Organic Molecules for Optoelectronic Applications Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This study shows a novel design strategy of polycyclic hydrocarbons with a large polyradical character, compelling synthetic targets for magnetic and spintronics materials. |
Neeraj Rai; Md Abdus Sabuj; Chinmoy Saha; Md Masrul Huda; |
| 544 | Predicting Phase Preferences of Transition Metal Dichalcogenides Using Machine Learning Techniques Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I will discuss our recent work [Phys. |
Pratibha Dev; Pankaj Kumar; Sharmila Shirodkar; Vinit Sharma; |
| 545 | Surface Doping of MoO3-x on Hydrogenated Diamond Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We performed reactive molecular dynamics simulations to study the deposition of MoO 3-x on hydrogenated diamond (111) surface and used first-principles calculations based on density functional theory to investigate the change transfer and electronic structures. |
Liqiu Yang; Thomas Linker; Aravind Krishnamoorthy; Ken-ichi Nomura; Rajiv Kalia; Aiichiro Nakano; Priya Vashishta; |
| 546 | Supercharging Semi-empirical Quantum Chemistry with Machine Learning Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we present an extended SEQC formalism dynamically parametrized via ML. |
Martin Stoehr; Todd Martinez; |
| 547 | Efficient Calculation of Χ Parameters for Polymer Interactions from Simulation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we present impacts of chain length on estimates of the χ parameter from atomistic simulations. |
Kevin Shen; Glenn Fredrickson; M. Scott Shell; My Nguyen; Charles Li; Dan Sun; Nick Sherck; Paul Irving; Venkatraghavan Ganesan; |
| 548 | First-principles Path-integral Molecular Dynamics Study of Ferroelectricity and Isotope Effects in KDP Crystals with Deep Neural Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We study the ferroelectric phase transition of KDP and DKDP with all-atom path-integral molecular dynamics (PIMD) based on a neural network potential energy model trained on density functional theory with SCAN approximation. |
Bingjia Yang; Pinchen Xie; Roberto Car; |
| 549 | Sobolev Sampling of Free Energy Landscapes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present a family of fast sampling methods for classical and first principle molecular simulations of systems having rugged free energy landscapes. |
Pablo Zubieta; Juan De Pablo; |
| 550 | Modified Metal-assisted Exfoliation for Low Disorder, Large Monolayer Devices Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we report a facile modified metal-assisted mechanical exfoliation method to produce high quality 2D material monolayer arrays on bare Si chip without exposing to water or solution based etching process. |
Yangchen He; Daniel Rhodes; |
| 551 | The Role of Intermolecular Interactions on The Crystallization Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, a series of polyesters that contain additional ester and amide groups have been studied. |
Leire Sangroniz; Yoon-Jung Jang; Marc Hillmyer; Alejandro J Müller; |
| 552 | Spherulites, Cylindirtes and Other Morphologies of Semicrystalline Polymers Revealed in 3D By Optical Tomography Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Current imaging techniques give only a 2D picture of these objects, whose features in the 3rd dimension have been assumed rather than observed. Here we show how they can be visualized in 3D using two-photon confocal laser-scanning microscopy on suitably labelled polymers such as i-polypropylene or poly(lactic acid). |
Shugui Yang; Jiaming Cui; Xiangbing Zeng; Feng Liu; Goran Ungar; |
| 553 | How Entanglements Determine The Morphology of Semicrystalline Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Small-angle X-ray scattering experiments after isothermal crystallization reveal a reduced thickness of the amorphous layers, while the crystal thickness remains largely unaffected. A simple yet quantitative model without adjustable parameter is suggested, according to which the measured thickness of the amorphous layers adjusts itself in such a way that the entanglement concentration reaches a specific maximum value. |
Thomas Thurn-Albrecht; Zefan Wang; Mareen Schaller; Albrecht Petzold; Kay Saalwaechter; |
| 554 | Correlating Near Infrared Data for Improved Polyolefin Recycling Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we use slow, but precise measurement techniques to build a dataset of polyolefins and their corresponding properties. |
Debra Audus; Shailja Goyal; Tyler Martin; Peter Beaucage; Sara Orski; |
| 555 | Molecular Simulations of Strain-induced Crystallization in Multiblock Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We studied three physical effects of the noncrystallizable components, i.e. dilution, microphase separation and contrast block rigidity, on the size diversity of crystalline microdomains yielded in strain-induced crystallization. |
Wenbing Hu; |
| 556 | Fluctuation and Correlation Effects on The Tiling Patterns Formed By ABC Stars of Symmetric Interactions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Based on the same model system used in the dissipative particle dynamics (DPD) simulations of ABC miktoarm star triblock terpolymers (referred to as "stars") of symmetric interactions (where the interaction parameters among the three components are equal), we perform both the self-consistent field (SCF) calculations and DPD simulations. |
Yuan Feng; Juntong He; Cody Hawthorne; Baohui Li; Qiang Wang; |
| 557 | Mixing and Demixing Arising from Compression of Two Flexible and Semi-Flexible Polymer Chains in Nanochannels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We use molecular dynamics (MD) simulation to probe the non-equilibrium physics of two nanochannel-confined polymers in a homogeneous flow field. |
Lili Zeng; Walter Reisner; Xavier Capaldi; Zezhou Liu; Ahmed Khorshid; |
| 558 | Cold, Warm, Warmer, Hot! Impact of Distance Metrics on Autonomous Experimentation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we focus on the problem of defining appropriate ‘distance’ metrics to describe differences between functions sampled within a design space. |
Kiran Vaddi; Lilo Pozzo; Huat Thart-Chiang; Karen Li; |
| 559 | Interpreting Neutron Reflectivity from Thin Films of Block Copolymers Using Neural Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we will present an application of the workflow in improving a model for understanding the electromechanical responses of ionic polymers, greatly expediting the process of finding desired structures for users. |
Miguel Fuentes-Cabrera; Dustin Eby; Mathieu Doucet; Rajeev Kumar; |
| 560 | The Autonomous Formulation Laboratory: Macromolecular Formulation Discovery with Multimodal Measurements Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This talk will describe the development of the Autonomous Formulation Laboratory, a highly adaptable platform capable of autonomously synthesizing and characterizing liquid mixtures with varying composition and chemistry using x-ray and neutron scattering in concert with other measurements. |
Peter Beaucage; Tyler Martin; |
| 561 | Combining Flory-Huggins Theory and Machine Learning for Improved Polymer Solution Phase Behavior Predictions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we build a framework combining Flory-Huggins theory with ML models to (i) improve predictability and generalization with less experimental data, and (ii) provide interpretability. |
Jeffrey Ethier; Debra Audus; Devin Ryan; Richard Vaia; |
| 562 | Application of Deep Learning to Polymer Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We developed a framework that utilizes a scaling relationship between solution correlation length ξ= lg ν/ B and number of monomers g per correlation volume for chains with monomer projection length l and a deep learning approach for evaluation of the B-parameters. |
Ryan Sayko; Michael Jacobs; Marissa Dominijanni; Andrey Dobrynin; |
| 563 | Sequence, Phase Behavior and Dynamics in Protein Condensates: An Eternal Triangle Revealed By Machine Learning Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Prior experimental observations and physical arguments suggest that the phase-separating propensity of a protein is strongly correlated to the dynamics in a protein-rich phase. Inspired by this work, we endeavor to understand to what extent we can exploit sequence patterns to break this correlation and what are the characteristics of any sequences that “break the mold.” |
Michael Webb; |
| 564 | Quantitative High-throughput Measurement of Bulk Mechanical Properties Using Commonly Available Equipment Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we explore mechanical properties that can be measured using a novel high-throughput colorimetric method using a common laboratory centrifuge, multiwell plates, and microparticles. |
Muzhou Wang; Justin Griffith; Yusu Chen; Qingsong Liu; Qifeng Wang; Jeffrey Richards; Danielle Tullman-Ercek; Kenneth Shull; |
| 565 | Predicting Microstructure of A Polymer Nanocomposite Using Machine Learning Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, it is challenging to establish a universal composition-property relation of PNCs due to their enormous composition and chemical space. Here we address this problem and develop a new method to model the composition-microstructure relation of a PNC through a machine learning pipeline, named as nanoNET. |
Tarak Patra; Kumar Ayush; |
| 566 | Fast and Accurate Prediction of Polymer Viscoelasticity Via Physics-Based Ensemble Learning Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present a machine learning framework to construct a predictive model for dynamic moduli of linear entangled homopolymers. |
Umi Yamamoto; Kenji Yoshimoto; |
| 567 | Predicting The Glass Transition of Complex Polymers Via Integration of Machine Learning, Theory and Molecular Modeling Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we establish an integrated framework based on machine learning (ML) and molecular simulations to predict T g for a diverse set of CPs and other polymers with a drastic difference in their chemical structures. |
Wenjie Xia; |
| 568 | Machine Learning-assisted Discovery of High-performance Polymer Membranes for Gas Separation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We demonstrate the success of a state-of-the-art semi-supervised graph regression framework leveraging unlabeled polymers to improve the performance of ML models even if only very limited and imbalanced permeability data are available based on an open-source polymer gas permeability experimental database for six major industrial gases. |
Jiaxin Xu; Agboola Suleiman; Gang Liu; Meng Jiang; Ruilan Guo; Tengfei Luo; |
| 569 | Molecular Dynamics Simulations of The Self-assembly of Polypeptoid Nanocrystals Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work utilizes molecular dynamic simulations to study the morphologies of the solvated poly( N-decylglycine)- b-poly( N-2-(2-(2-methoxyethoxy)ethoxy)ethylglycine) [Ndc-Nte] in aqueous solutions. |
Xubo Luo; Tianyi Yu; Xi Jiang; Ronald Zuckermann; Nitash Balsara; David Prendergast; |
| 570 | Single Molecule Measurements of The Morphology and Stiffness of Acid-Hydrolyzed Phytoglycogen Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have explored the effect of acid hydrolysis, a process in which bonds between the glucose subunits can be broken through exposure to dilute acid at high temperature, and measured changes to the radius, deformability, and outer chain length of the PG particles. |
Yasmeen El-Rayyes; Ashley Geddes; Benjamin Baylis; John Dutcher; |
| 571 | Atomic-scale Imaging of Self-assembled Polypeptoid Crystals with Varying Molecular Side Chains Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, a series of polypeptoids with a phenyl, amino, or methyl group in the side chain is created and the crystal structure is studied using atomic-scale TEM images. |
Morgan Seidler; Nitash Balsara; Xi Jiang; Tianyi Yu; Ronald Zuckermann; |
| 572 | Super Resolution Imaging Studies of Spatially Heterogeneous Thermosensitive Gels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The impact of spatial variations in crosslink densities within polymer gels are often masked by ensemble averaged measurements. This talk will present insights into the nature, origin and impact on mechanical properties of these network inhomogeneities from super resolution microscopy studies of model thermosensitive PNIPAM gels. |
Chaitanya Ullal; |
| 573 | Single-Molecule Force Experiments Reveal Effects of Sequence Charge on Polyelectrolyte Conformation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Overall, this study challenges conventional wisdom on polyelectrolyte conformation and demonstrates the use of single-molecule force experiment as a useful tool to study polymer sequence-conformation relationship. |
Hoang Truong; Rachel Segalman; Omar Saleh; |
| 574 | Molecular-scale Mechanical Properties of Calcium-responsive Proteins Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using atomic force microscopy (AFM), we demonstrate single-molecule force spectroscopy (SMFS) of RTX domains. |
Alana Gudinas; Marina Chang; Danielle Mai; |
| 575 | Unraveling The Mechanics of Collagen Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We are investigating this link between sequence and mechanics, using atomic force microscopy (AFM) imaging of collagens and centrifuge force microscopy (CFM) for high-throughput force measurements. In this talk, I’ll present our first mapping of sequence to mechanics, and share insight into how this might influence the properties driving self-assembly of collagens into higher-order structures. |
Alaa Al-Shaer; Koushik Bar; Nancy Forde; |
| 576 | Effect of Hydrogen Bonding on Single Polymer Growth Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We investigated the effect of hydrogen bonding on the dynamics and kinetics of single polymer growth using magnetic tweezers. |
Chunming Liu; |
| 577 | Single-molecule Imaging in Commercial Stationary Phase Particles Using Highly Inclined and Laminated Optical Sheet Microscopy Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work we resolve the three-dimensional, nanoscale locations of single-molecule analytes within unpacked commercial chiral stationary phase particles (CSPs) using highly inclined and laminated optical sheet (HILO) microscopy. |
Ricardo Monge Neria; Lydia Kisley; |
| 578 | Adsorption and Packing of Non-Spherical Nanoparticles at Liquid-Air Interfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: The near 2D assembly of interfacial ellipsoidal (NE) and disk-like (ND) nanoparticles (NPs) was examined by variable-pressure SEM, and single-particle resolution was achieved at … |
Satyam Srivastava; David Hoagland; Alexander Ribbe; Thomas Russell; |
| 579 | Dynamics of A Single Polymer Chain in Gaussian and Non-Gaussian Active Baths Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we intend to give an overview of the structure and dynamics of a single polymer chain in active baths, Gaussian or non-Gaussian. |
RAJARSHI CHAKRABARTI; Subhasish Chaki; Koushik Goswami; |
| 580 | Back to Basics: A Lattice Framework for Understanding Coil-globule Transitions in Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I will describe a simple, lattice framework that allows us to capture and elucidate the physics of coil-globule transition induced either by heat or cononsolvency. |
Michael Webb; Satyen Dhamankar; |
| 581 | Spatially and Temporally Resolved Crystallization and Orientation of High Performance Polymers During Additive Manufacturing Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Additive manufacturing of high-performance polymers enables light-weighting for aerospace applications and complexity enabled capabilities for military applications. While good … |
Hilmar Koerner; |
| 582 | Additive Manufacturing of Multimaterials with Controllable Microstructure Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we will present our work on developing the materials and processes necessary to create multimaterial structures through extrusion-based AM. |
Daniel Krogstad; |
| 583 | 3D Printing of Granular Microgels: Rheological Responses with Capillary Interactions Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Colloids and particle suspensions have served as facile approaches to introduce biological functionalities by loading with bioactive agents. The jamming behaviors of packed … |
Zhecun Guan; Jinhye Bae; |
| 584 | Shape Memory Effect of Polymer Composites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we present the use of a newly designed and developed 3D printing mechanism, multiphase direct ink writing (MDIW), for the one-step fabrication of layered composite structures with shape memory. |
Dharneedar Ravichandran; |
| 585 | Controlling Residual Stress in Material Extrusion Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The impact of graphene incorporation into FFF feedstocks and in situ light-initiated crosslinking on residual stress is examined in this work. |
Austin Riggins; Mark Dadmun; |
| 586 | Enhanced Structural Stability and Interfacial Strength of Thermoplastic Elastomers Using Dual Material Bi-layered Filaments By Material Extrusion Additive Manufacturing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Proposed approach improves 3D printing characteristics of TPE (shore hardness 75A) by assembling smaller volume fractions of ABS material, to develop core-shell structure of ABS and TPE respectively. |
Jay Park; Nikhil Patil; Eric Wetzel; Kartik Joshi; |
| 587 | Reducing Anisotropy in FFF Printed High-Temperature Thermoplastic Polymers: The Importance of Crystallization Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: To improve this interfacial adhesion and tailor polymer diffusion, our research group has previously incorporated low-molecular-weight (LMW) additives into poly(lactic acid) (PLA) and acrylonitrile butadiene styrene (ABS) polymer blends that surface segregate which improves interfacial adhesion and enhances mechanical properties of the printed structures. This talk will focus on transitioning these concepts to FFF of high temperature polymers, such as poly(ether ether ketone) (PEEK) and poly(ether imide) (PEI). |
Mark Dadmun; |
| 588 | A New Class of High-performance Metal-fiber Thermoplastic Composites for Additive Manufacturing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We demonstrate a new class of thermoplastic composites processed by additive manufacturing that utilize aluminum alloy fibers in a Polyethylene Terephthalate Glycol (PETG) matrix. |
Debapriya Pinaki Mohanty; Brian Arnold; Srinivasan Chandrasekar; James Mann; |
| 589 | Controlling Structural and Mechanical Anisotropy in Thermoplastic Elastomers By 3D Printing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We examine both how the complex processing flows of 3D printing and post-printing thermal annealing impact domain orientation. |
Alice Fergerson; Emily Davidson; |
| 590 | Weld Formation Between Polymer Films Subject to A Thermal Gradient — Insights from Molecular Dynamics Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present results of Molecular Dynamics simulations of polymer films that are first equilibrated at a given temperature and then placed in contact with each other. |
Mauro Mugnai; Jonathan Seppala; Peter Olmsted; |
| 591 | Advanced Manufacturing of Multi-stable Metamaterials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We design and experimentally evaluate a new class of metamaterials capable of achieving multiple stable morphologies, which can be tailored to respond to external stimuli. |
Taylor Greenwood; Md Nahid Hasan; Pai Wang; Yong Lin Kong; |
| 592 | Assembly of Reduced Graphene Oxide-Conducting Polymer Fibers in The Lyotropic Liquid Crystal Phase As Synthetic Muscle Actuators Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we create strong and ultrafast actuators through wet-spinning of graphene oxide (GO) into fibers coupled with conducting polymers, PEDTO:PSS, with enhanced toughness, followed by reduction. |
Shu Yang; |
| 593 | Biophysical Cues Regulating Structural Organization of Fat in Adipocytes Upon Caloric Excess Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We show that adipose LDs are not simple emulsions as originally thought. |
Cecilia Leal; |
| 594 | Entropy-Driven Supramolecular Biomaterials Enabling Innovations in Drug and Cell Delivery Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk we will discuss the preparation, characterization and application of a class of physical hydrogels generated by non-covalent interactions between modified biopolymers (BPs) and nanoparticles (NPs). |
Eric Appel; |
| 595 | Self-assembly of The Dipole-driven Physical Polyzwitterions in Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here in a polycation-negatively charged organic salt complaxation system, we found that dipolar interaction will transform a polycation into a physical polyzwitterion. |
Di Jia; Murugappan Muthukumar; |
| 596 | Characterizing Protein Hydration to Inform Its Interactions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Nevertheless, understanding the role of water in mediating protein interactions is essential to understanding, predicting, and eventually controlling such interactions, which play a crucial role in the development of therapeutic strategies and in protein separations. In this presentation, I will discuss our recent successes in quantitatively characterizing the disruption of water structure in the hydration shell of proteins, and in using this information to predict the interfaces through which proteins interact with one another and self-assemble. |
Amish Patel; |
| 597 | Tackling Stability of Polymer Solar Cells with Thermocleavable Side Chains: Materials and Devices Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This talk will focus on our recent efforts in applying thermocleavable side chains to achieve high stability of polymer solar cells, from archetypical polythiophenes to state-of-the-art donor-acceptor type copolymers. |
Wei You; |
| 598 | Elucidating The Hydrogen Bonding Location Effect on Morphology, Mechanical and Electrical Properties of Conjugated Polymer/elastomer Composites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Hydrogen bond, a dynamic bond (HB), was reported able to effectively improve the stretchability of semiconductors when introduced either in pure conjugated polymers (CPs) or elastomer matrix of CP/elastomer composites. In this work, we combined these two methods that we introduced amide groups into both DPPTVT CP (DPPTVT-A) and elastomer matrix (amide-polyisobutylene, PIB-A) to fabricate dual hydrogen bond-crosslinked DPPTVT-A/PIB-A composites, and carefully studied the non-covalent hydrogen bonding location effect on morphology, electrical and mechanical properties. |
Yunfei Wang; Angela Awada; Kai-Lin Chen; Nathaniel Prine; Yu-Cheng Chiu; Simon Rondeau-Gagné; Xiaodan Gu; |
| 599 | Emergent Morphologies Due to Phase Separation During Meniscus-guided Coating Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: The active thin film layer in organic electronic devices are commonly manufactured from a solution using far out-of-equilibrium solution processing, such as meniscus-guided … |
René Bruijn; Jasper Michels; Paul Van der Schoot; |
| 600 | Effect of Solvent Quality on Chain Conformation and Optoelectronic Properties of Conjugated Polymers By Light Scattering Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we report a static light scattering approach to quantify the solvent quality for poly(3-alkylthiophene-2,5-diyl) (P3ATs) and a donor-acceptor polymer PffBT4T-C9C13 with different length of sidechains in several commonly used organic solvents (chlorobenzene, chloroform, tetrahydrofuran, and toluene). |
Guorong Ma; Zhiqiang Cao; Yunfei Wang; Xiaodan Gu; |
| 601 | Patterned Self-assembly of Twisted Tetrathiafulvalene Crystals Through Solvent Vapor Annealing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we explore the spontaneous reorganization of banded tetrathiafulvalene spherulites into regularly spaced ridges on the tens of microns length scale during solvent vapor annealing. |
St. John Whittaker; |
| 602 | Crystal Twisting to Impart Chirality to Organic Semiconductor Crystals Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we introduce crystal twisting about the fast growth direction as a general strategy to impart chirality to centrosymmetric organic semiconductor crystals. |
Stephanie Lee; Sehee Jeong; Yongfan Yang; Alexander Shtukenberg; Bart Kahr; St. John Whittaker; |
| 603 | Deuteration Effects on Thermal, Crystallization, and Optoelectronic Properties of Donor-Acceptor Conjugated Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Hence, this work investigated high-performing donor-acceptor (D-A) CPs with deuterated sidechains to study their influences on thermal, crystal ordering, and optoelectronic properties. |
Kundu Thapa; |
| 604 | Self-assembly of Periodic, Sub-micron Topography in Organic Semiconducting Thin Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This talk will examine the role of metal-oxide underlayers as a means to engineer the kinetics of film transformation and hence, pattern periodicity. |
Wan-Ju Hsu; John Bangsund; Russell Holmes; |
| 605 | Modeling Conjugated Polymers As Ribbon-like Chains Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The WLC model captures the bending stiffness but neglects the anisotropy of CP monomers. |
Jian Qin; Wes Michaels; Andrew Spakowitz; |
| 606 | Understanding Single-Molecule Charge Transport in Multi-state, Ladder-type Conjugated Molecules Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our work focuses on the ability to precisely control the switching of electronic signals in single molecules using triggered changes in pH, mechanical force, optical or electric fields. |
Jialing Li; Bo-Ji Peng; Shi Li; Daniel Tabor; Lei Fang; Charles Schroeder; |
| 607 | Ion Transport in 2D Nanostructured Π-Conjugated Thieno[3,2-b]thiophene-Based Liquid Crystal Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we have designed and prepared a new liquid crystal that contains (2,5-bis(5-(2,5,8,11-tetraoxatridecan-13-yl)thiophen-2-yl)thieno[3,2-b]thiophene (BTTT) as mesogenic core and conjugated segment and symmetric tetra(ethylene oxide) (PEO4) as polar side chains for ionic conducting regions. |
Zhongyang Wang; Chaoqiuyu Wang; Yangyang Sun; Joseph Strzalka; Christopher Ober; Fernando Escobedo; Paul Nealey; Shrayesh Patel; |
| 608 | Thermoelectric Transport Signatures of Carrier Interactions in Polymer Electrochemical Transistors Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, changes in the electronic phases of polymers are analysed by means of thermoelectric transport signatures. |
Dionisius Hardjo Lukito Tjhe; Xinglong Ren; Ian Jacobs; Tarig Mustafa; Thomas Marsh; Yuxuan Huang; Lu Zhang; William Wood; Ahmed Mansour; Gabriele d’Avino; David Beljonne; Norbert Koch; Henning Sirringhaus; |
| 609 | Vapor-to-glass Preparation of Biaxially Aligned Glassy Liquid Crystal Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Physical vapor deposition (PVD) provides a unique tool for the additive manufacture of organic light-emitting diode (OLED) displays, where high surface molecular mobility and … |
Jianzhu Ju; Debaditya Chatterjee; Paul Voyles; Harald Bock; Mark Ediger; |
| 610 | Linking Rheological Properties with Molecular-Scale Features Via Molecular Dynamics Simulations and Machine Learning Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We combine NEMD simulations with machine learning (ML) methods such as principal component analysis and t-distributed stochastic neighbor embedding to extract the correlation between molecular structure and shear thinning of small-molecular liquids such as squalane, polydecene trimer, and 9-octylheptadecane over a broad range of strain rates (105 – 1010 s-1), pressures (0.1 – 1000 MPa), and temperatures (293 – 373 K). |
Wenhui Li; JCS Kadupitiya; Vikram Jadhao; |
| 611 | Active Learning Exploration of Thermally Conductive Strained Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we employ an active learning scheme to speed up the discovery of high TC polymers. |
Renzheng Zhang; Jiaxin Xu; Hanfeng Zhang; Tengfei Luo; |
| 612 | Connecting Local Structure and Transport of Small Molecules Through Glassy Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work we examine the diffusion of small particles through simple homopolymer melts below the onset of glassy dynamics and explore the relationship between softness and diffusion as the relative size and interaction potential of the diffusing particles changes. |
Samuel Layding; Robert Riggleman; |
| 613 | Deep Learning Approaches for Property Prediction and Inverse Design of Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we present our efforts to apply deep learning models to polymeric systems by proposing an efficient and simplified polymer-to-string representation. |
JIHUN AHN; Su-Mi Hur; Yeojin Choe; Gabriella Pasya Irianti; |
| 614 | Developing Universal Machine Learning Model for Predicting Polymer Properties Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Their extrapolation capability is poorly understood. To address these problems, here we propose a simple approach to build computationally cheap high-fidelity deep neural network models with optimal hyperparameters, introduce efficient polymer fingerprinting and data selection algorithm for universal model building. |
Himanshu .; Tarak Patra; |
| 615 | Quantifying Pairwise Chemical Similarity of Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we design a similarity function built upon automata as a polymer graph representation. |
Jiale Shi; Nathan Rebello; Dylan Walsh; Weizhong Zou; Michael Deagen; Debra Audus; Bradley Olsen; |
| 616 | Canonicalizing BigSMILES for Polymer Informatics Using Chemical Intuition and State Machines Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We introduce two algorithms to canonicalize BigSMILES into a single unique string representation. |
Nathan Rebello; Tzyy-Shyang Lin; Guang-He Lee; Melody Morris; Bradley Olsen; |
| 617 | CG-BigSMILES: A Line Notation for Coarse-grained Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we propose a layer based annotation syntax, called CG-BigSMILES, as complement to the non-coarse-grained BigSMILES. |
Bruno Leao; Weizhong Zou; Bradley Olsen; |
| 618 | Machine Learning of Phase Diagram Based on GPR for The DPD Simulation of Drug Delivery to Endothelial Cells Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Despite huge effort over the years, the design of functionalized nanocarriers (NCs) for targeted drug delivery to endothelial cells is still to be completely unveiled. Dissipative … |
Saeed Akbari; Soumya Ray; Joao Maia; Fei Zhou; Xiao Chen; |
| 619 | Deep Learning Boosted Langevin Field-Theoretic Simulation of Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, we introduce a DNN that can be successively applied to determine the partial saddle point of the pressure field. |
Jaeup Kim; Daeseong Yong; |
| 620 | Machine Learning Strategies for The Structure-property Relationship of Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: As a supplement to polymer informatics, our proposed approach provides an efficient way for the evaluation of copolymers. |
Ying Li; Lei Tao; Vikas Varshney; John Byrnes; |
| 621 | Data-driven Identification and Analysis of The Glass Transition in Polymer Melts Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We employ data-driven approaches based on information about purely structural fluctuations of the chains to identify the glass transition from coarse-grained weakly semi-flexible polymer model simulations. |
Atreyee Banerjee; Hsiao-Ping Hsu; Kurt Kremer; Oleksandra Kukharenko; |
| 622 | Tight-binding Model Predicts Frontier Molecular Orbitals and Optical Gap for Conjugated Oligomers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The tight-binding parameters from homo-oligomers and alternating co-oligomers of the constituent monomers, without adjusting, were used to define the tight-binding model of IDTBR Here, we extend this model to describe the energy and structure of excitons on oligothiophenes and IDTBR. |
Vishal Jindal; Michael Janik; Scott Milner; |
| 623 | Optical Studies of Chirality Induced Pi-conjugated Polymer Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have studied the optical and magneto-optical properties of organic thin films consisting of π-conjugated polymers blended with chiral molecules, using absorption, electro-absorption (EA), circular dichroism (CD), and photoluminescence (PL) spectroscopies. |
Prashanna Poudel; Heshan Hewawalpitage; Xin Pan; Christoph Boehme; Zeev Vardeny; |
| 624 | Photophysics and Photochemistry of Singlet Fission Materials in Microcavities Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: An important intermediate step in SF is the formation of a spin-entangled triplet-pair state (TT), whose properties are critical in mediating both the generation of free triplets and the reverse process of triplet-triplet annihilation. We systematically examine formation of the TT state and its properties in functionalized acenes depending on the derivative and film morphology, as well as external parameters such as temperature, magnetic field, and excitation energy. |
Winston Goldthwaite; Roshell Lamug; Michael Chase; John Anthony; Oksana Ostroverkhova; |
| 625 | Ultrafast Generation of The Triplet-triplet Spin Biexciton with Weak Binding Energy in Singlet Fission Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Accordingly, we have investigated the SF candidate material PTP (P = pentacene, T = tetracene) which has been shown to display both fast triplet-triplet generation as well as slow triplet recombination 1. |
Moshe Chesler; Sumitendra Mazumdar; |
| 626 | Photophysics and Optoelectronics of Functionalized Acenes and Anthradithiophenes in Cavities Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present a systematic study of strong coupling in functionalized tetracenes (R-Tc) and anthradithiophenes (R-ADT) depending on film crystallinity, morphology, placement in the cavity (to achieve various degrees of overlap with the cavity electric field), and cavity design. |
Roshell Lamug; Winston Goldthwaite; Ahasan Ullah; John Anthony; Li-Jing Cheng; Oksana Ostroverkhova; |
| 627 | Exciton-Polariton Condensation in Organic Host-guest Systems at Room Temperature Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we report a new universal platform of supramolecular organic systems to realize room temperature condensation with the potential to incorporate more than 1000 commercially available dyes across the visible spectrum. |
Prathmesh Deshmukh; Sitakanta Satapathy; Evripidis Michail; Andrew Olsson; Rezlind Bushati; Ravindra Kumar Yadav; Mandeep Khatoniar; Junsheng Chen; Bo Laursen; Matthew Sfeir; Amar Floor; Vinod Menon; |
| 628 | Organic Exciton-Polariton Lattices Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we report an approach that uses Focused Ion Beam (FIB) etching to pattern a planar microcavity. |
Ravindra Kumar Yadav; Sitakanta Satapathy; Prathmesh Deshmukh; Biswajit Datta; Addhyaya Sharma; Vinod Menon; |
| 629 | Evaluation of The Photostability of An Organic Solar Cell Using A Field-Effect Transistor Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Light-induced deterioration of performance in organic solar cells (OSCs) is a key barrier to commercialization. Because the photostability of OSCs is highly dependent on the … |
SWARUP BISWAS; Yongju Lee; Hyojeong Choi; Hyeok Kim; |
| 630 | Photo-Active Covalent Organic Frameworks (COFs) for Photochemical Transformations and Environmental Remediation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we demonstrate that photoactive COFs are effective heterogeneous photocatalysts for organic transformations. |
Rafael Verduzco; |
| 631 | Performing UV Photochemistry with Blue Light Using Triplet Fusion Upconversion Micelles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Blue-to-UV triplet fusion upconversion offers a solution by converting two blue photons that are more transmissive into a higher energy UV photon. |
Brendan Wirtz; Qi Zhou; Tracy Schloemer; Manchen Hu; Danielle Mai; Daniel Congreve; |
| 632 | NIR Sensing Ambipolar Organic Phototransistor Based on Solution Processable N-Type Semiconductor Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We developed ambipolar OPT using the single component approach with donor-acceptor type molecules in the active layer. |
Hwa Pyeong Noh; Yongju Lee; Mi Ri Nae Lee; SWARUP BISWAS; Hyeok Kim; |
| 633 | Enhanced Infrared Photosensitivity in DPP Based Polymer Sensitized MoS2 Phototransistor Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our study revealed that 2D semiconductor hybrid heterostructure with IR absorbing polymer may pave the way to design the high sensitivity IR photodetector for promising optoelectronic applications. |
Priyanka Das; Brian Shook; Ranganath Don; Daijun Feng; Ralu Divan; Daniel Rosenmann; Anirudha Sumant; Qiqi Zhang; Qilin Dai; Colleen Scott; Nihar Pradhan; |
| 634 | High Ambipolar Mobility in Cubic Boron Arsenide Revealed By Transient Reflectivity Microscopy Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: With near band gap 600-nanometer pump pulses, we found a high ambipolar mobility of 1550 ± 120 square centimeters per volt-second, in good agreement with theoretical prediction. |
Shuai Yue; Fei Tian; Xinyu Sui; Mohammadjavad Mohebinia; Xianxin Wu; Tian Tong; Zhiming Wang; Bo Wu; Qing Zhang; Zhifeng Ren; Jiming Bao; Xinfeng Liu; |
| 635 | Coherent States Field Theory for Supramolecular Dendron-like Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we explore the use of ABn miktoarm star copolymer and An star homopolymer with terminal functional groups as supramolecular building blocks to construct a range of reversible dendron-like copolymers. |
Dan Sun; Kris Delaney; Glenn Fredrickson; |
| 636 | Effects of Dynamic Bonds on The Kinetic Pathways of The Disorder-order Transition of Supramolecular Diblock Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We show that intermediate plateau in the structure order parameter is observed for both systems during the transition, and the length of plateau is shorter for SDBC. |
Xiangyu Zhang; Dong Meng; |
| 637 | Fluctuation Effects on The Order-order Transitions of A Diblock Copolymer Melt Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Given recent advances in our understanding of the ultra-violet divergence that occurs in field-theoretic simulations, we are now able to calculate and compare free energies from different size boxes. Using this ability, we calculate fluctuation-corrected phase diagrams. |
Mark Matsen; Tom Beardsley; James Willis; |
| 638 | Is The ODT of Diblock Copolymers A Mean-field Transition? Insights from DPD Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Over the last few years, however, several new theories have emerged trying to incorporate fluctuations in different ways to better match experimentally observed temperatures compared to the F-H results. Here, we revisit this problem by using a coarse-grained computational technique called Dissipative Particle Dynamics and explore the mean field limit within this approximation. |
Alfredo Alexander-Katz; Hejin Huang; |
| 639 | Study of Fluctuation Effect on Diblock Copolymers Blended with Random Copolymers By Using Langevin Field Theoretic Simulation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, we demonstrate the effect of fluctuation on the diblock copolymer (BCP)-random copolymer (RCP) blend system by comparing L-FTS and SCFT results. |
Hyeon U Jeong; Daeseong Yong; Jaeup Kim; |
| 640 | Langevin Field Theoretic Simulation on The Order-to-disorder Transition of Frank-Kasper Phases Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In order to understand the nature of ODTs, we perform Langevin field theoretic simulation (L-FTS), which samples the ensemble of polymers so that the effect of compositional fluctuation can be accounted for after enough time steps of simulation. |
Wonjun Kang; Daeseong Yong; Jaeup Kim; |
| 641 | Topological Effect on Order-Disorder Transition of Self-Assembled High-χ Block Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work aims to systematically examine the topological effect on the self-assembly of high-χ block copolymers. |
Cheng-Yen Chang; Gkreti-Maria Manesi; Apostolos Avgeropoulos; Rong-Ming Ho; |
| 642 | Alternating Gyroid Stabilized By Surfactant-Like Triblock Copolymers in SI/SO/ISO Ternary Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we use SCFT to investigate the feasibility of this method in practice by computing the phase behaviors of ternary mixtures of poly(styrene- block-isoprene) (SI), poly(styrene- block-ethylene oxide) (SO), and poly(isoprene- block-styrene- block-ethylene oxide) (ISO). |
Pengyu Chen; Kevin Dorfman; |
| 643 | Ordered Microphases in Binary Blends of AB and ABC Block Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present phase diagrams of the blend systems as functions of segregation strength and blend composition, which exhibit a rich phase behavior due to an expansive parameter space with eight independent parameters (three Flory–Huggins interaction parameters, three block compositions, one overall molecular weight ratio, and one blend composition). |
SoJung Park; Frank Bates; Kevin Dorfman; |
| 644 | Synthesis and Phase Behavior of PS-(PS-b-P2VP)3 Miktoarm Star Block Copolymer Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we synthesized polystyrene-[polystyrene- b-poly(2-vinylpyridine)] 3 miktoarm star block copolymer [PS L-(PS S- b-P2VP) 3] where PS L and PS S are long and short PS chains, respectively. |
Dokyung Woo; Yeseong Seo; Luyang Li; Weihua Li; |
| 645 | Topological Effect on The Phase Behaviour of Triblock Copolymer and Homopolymer Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The phase behaviour of binary blends composed of linear symmetric AB-type triblock copolymers and A-homopolymers is examined using the self-consistent field theory, focusing on the occurrence of the Frank-Kasper (FK) phases. |
Jiayu Xie; Anchang Shi; |
| 646 | Stabilizing Network Morphologies of Block Copolymers By End-group Chemistry Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we report a simple but powerful method to lower the packing frustration of network morphologies of block copolymers. |
Hojun Lee; Moon Jeong Park; |
| 647 | Order-to-order Transitions in Architecturally Asymmetric Linear-block-bottlebrush Copolymers Using Ionic Liquids As Selective Solvents Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we explore how the addition of block selective solvents to an architecturally asymmetric linear- block-bottlebrush BCP induces order-to-order transitions. |
Camila Perales; |
| 648 | Role of Solvent Quality on The Morphology of Concentrated Block Copolymer Thin Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In the present work, we employed a coarse-grained molecular dynamics simulation to investigate the effects of solvent quality and chain stiffness on the phase behavior of symmetric ABA triblock copolymer focusing on loop/bridge conformations for different morphologies. |
Abdol Hadi Mokarizadeh; Mesfin Tsige; |
| 649 | Using Fluorinated Junctions to Bias Orientation of Block Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: For the BCPs with fluorinated junctions, we observed a mixture of perpendicular and parallel lamellae. |
Mingqiu Hu; Xindi Li; Javid Rzayev; Thomas Russell; |
| 650 | Mechanical Reinforcement of Nanoparticles: from Dispersion to Agglomeration Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we studied the mechanical enhancement and dynamics at different time scales in model polymer nanocomposites with different polymer molecular weights, particle sizes, and different surface properties of nanoparticles. |
Wei Yu; |
| 651 | Predicting Polymer Grafted Nanoparticles Assembly Using Deep Learning Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Grafting polymer chains on nanoparticles (NPs)’ surfaces is a well-known route to control their self-assembly and distribution in a polymer matrix. Here we propose a DL method to solve this problem. |
Sachin Gautham; Tarak Patra; |
| 652 | Composite Fibers with 1D and 2D Nanoparticle Reinforcement Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Thus, this research will report composite fibers consisting of multilateral with structural properties and multifunctional behaviors that can significantly benefit light-density systems or devices. |
Kenan Song; |
| 653 | Micrometer Mobile Surface Layer in A Glassy Polymer Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we measured the mechanical relaxations of free-standing polystyrene films with thickneeses, h, from 5 nm to 186 μm. |
Ophelia Tsui; Hailin Yuan; Jinsong Yan; Ping Gao; Sanat Kumar; |
| 654 | Mechanism of Enhanced Adhesion Strength of Multi-layer Films Via Multi-block Copolymer Compatibilizers: Coarse-Grained Simulation Study Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we present a coarse-grained simulation study to investigate the mechanism of the enhanced adhesion due to the MBCP compatibilizers. |
Umi Yamamoto; Keiichiro Nomura; Christopher Ellison; |
| 655 | Kinetics of Polymer Expansion Released from A Confined Cavity Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we develop a two-stage model to explain expansion phenomena of an enclosed chain freely released from a cavity. |
Pai-Yi Hsiao; |
| 656 | Capillary Filling of Polymer Chains in Nanopores Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We performed molecular dynamics simulations with a coarse-grained model to investigate the capillary filling dynamics of polymer chains in a nanopore. |
Jiajia Zhou; Jianwei Zhang; George Floudas; |
| 657 | Forced-assembly of Triblock Copolymers at The Transitioning Interfaces from Liquid-air to Solid-air Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: With the designed triblock copolymers (ABA) having two dissimilar blocks at the center and the ends, dynamic co-solidification with a polymeric substrate is investigated in this study occurring at the interfaces changing from liquid-air to solid-air. |
Sungsook Ahn; |
| 658 | Statistical Field Theory for Nonlinear Elasticity of Polymer Networks with Nonlocal Excluded Volume Interactions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Existing phenomenological and micromechanical elastic models for rubbery polymers are unable to account for polymer molecular structure and inter-segment interactions. To address these limitations, we have developed a statistical mechanics-based field-theoretic model for polymer networks, which provides an efficient mesoscale approach that enables the accounting of excluded volume effects without the expense of large-scale molecular modeling. |
Pratik Khandagale; Timothy Breitzman; Carmel Majidi; Kaushik Dayal; |
| 659 | Bifurcation of Collapse Transition for Semiflexible Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In contrast to conventional canonical statistical analysis methods, our method provides a scheme for the systematic identification and classification of transitions. |
Dilimulati Aierken; Michael Bachmann; |
| 660 | Thermodynamic and Topological Properties of Copolymer Rings with A Segregation/mixing Transition Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Thermodynamic and topological properties of copolymer rings with a segregation/mixing transition. |
Esaias Janse van Rensburg; |
| 661 | Molecular Dynamics Simulation of Entangled Melts at High Rates: Identifying Entanglement Lockup Mechanism Leading to True Strain Hardening Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In the present work, molecular dynamics simulations are carried out based on the bead-spring model to indicate how the entanglement lockup manifests in the late stage of fast Rouse-Weissnberg number (WiR>>1) uniaxial melt stretching of entangled polymer melts. |
Shi-Qing Wang; Yexin Zheng; Mesfin Tsige; |
| 662 | All-atom Molecular Dynamics Simulation of Solvent Diffusion in A Glassy Polymer Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have designed a simulation approach to observe Case II type of diffusion in glassy polymers using all-atom simulation. |
Javad Tamnanloo; Mesfin Tsige; |
| 663 | Correlation Effects in Various Polymer Density-Functional Theories Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we directly compare the results of various PDFTs, including those proposed by Yu and Wu (YW), by Chapman and co-workers (miSAFT), and by Donley et al. (CMS-RW), to the results of SCFT and Monte Carlo simulations for selected model systems. |
Jiawei Zhang; Baohui Li; Qiang Wang; |
| 664 | Phase Separation in Dynamically Asymmetric Unentangled Polymer Blend: An Experimental Study Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We used this combination to estimate the composition-dependence of the mobility, which is required to describe the phase separation dynamics. For this purpose, we determined the chain friction coefficient ( ζ) of each component in a uniform state sufficiently above the phase separation temperature ( T s). |
Takeshi Sato; Yumi Matsumiya; Hiroshi Watanabe; |
| 665 | Interaction of Poly(lactic Acid) with Water Using FT-IR Spectroscopy Under Humidity Conditioning Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In order to clarify the interaction between water molecules and the surface of polylactide films heat-treated under various conditions, we used a microbeam infrared spectrometer equipped with a humidity control device and DSC measurements. |
Go Matsuba; Tomoka Kokuzawa; Yuka Ikemoto; |
| 666 | Combined Description of Pressure-Volume-Temperature and Dielectric Relaxation of Several Polymeric and Low-Molecular-Weight Organic Glass-Formers Using SL-TS2 Approach Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We apply our recently-developed mean-field “SL-TS2” (two-state Sanchez-Lacombe) model to simultaneously describe dielectric a-relaxation time, τα, and pressure-volume-temperature (PVT) data in four polymers (polystyrene, poly(methylmethacrylate), poly(vinyl acetate) and poly(cyclohexane methyl acrylate)) and four organic molecular glass formers (ortho-terphenyl, glycerol, PCB-62, and PDE). |
Valeriy Ginzburg; Riccardo Casalini; Alessio Zaccone; |
| 667 | Polymer Transport Through A Fractal Metamaterial Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we test the transport of double-stranded DNA through nanochannel systems that form metamaterials with a dimensionality between one and two, and compare the observed configuations with hierarchical materials that follow the same design rules, but are of dimensionality two. |
Robert Riehn; |
| 668 | Diffusion of Knots in Nanochannel-confined DNA Molecules Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, the diffusion mechanisms of knots in confined systems, especially the dynamic evolution of untying knots, remain open questions. To address this issue, we used Langevin dynamics simulations to probe the typical mechanisms governing the dynamic evolution and the spontaneous untying of trefoil knots in nanochannel-confined DNA molecules of different chain contour lengths in the extended de Gennes regime. |
Runfang Mao; Kevin Dorfman; |
| 669 | On The Settling Dynamics of Brownian Filaments in Centrifuge Systems and Field-induced Knot Tightening Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using the Brownian Dynamics method, we make a statistical study on the dynamics of a single filament over a long period of time. |
Lucas Hildebrand Pires da Cunha; Sibani Lisa Biswal; Frederick MacKintosh; |
| 670 | Mechanical Properties of Partially Degraded Kinetoplast DNA Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Kinetoplasts are planar, sheet-like objects formed by linked-rings of DNA to form a chainmail-like sheet that are found in the mitochondria of trypanosome parasites. The study of kinetoplasts offers a practical way to probe two-dimensional materials because the planar topology of kinetoplasts causes them to behave like two-dimensional elastic sheet, and thus can serve as a model for two-dimensional polymer systems that are difficult to otherwise synthesize . |
Henry Sundland; Alexander Klotz; |
| 671 | Single-Molecule Studies of Confined Branched Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we investigate topologically complex polymers placed in confined environments by observing changes in the diffusivity and conformation of branched polymers in 1D slit-like confinement. |
Louis Wang; Danielle Mai; |
| 672 | Investigation of Bottlebrush Polymer Chain Conformations Under Mechanical Deformation Using Super-Resolution Optical Microscopy Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Despite significant modeling, simulation, and experimental effort, studies at the molecular level are still challenging to perform, especially for real-time characterization of chain conformations. In this work, we directly visualized bottlebrush polymers in a thin film using super-resolution optical microscopy (SROM), as they were compressed under a spherical piezoelectric-controlled indenter. |
Ruiqi Xiao; Jonathan Chan; Tyler Heyl; Qifeng Wang; Kenneth Shull; Muzhou Wang; |
| 673 | Role of Topology on Properties of A Two-Dimensional Catenated DNA Network Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We find that irrespective of topology the spatial extension of the network remains invariant, however, it significantly affects the shape fluctuations of the network. |
Indresh Yadav; Dana Al Sulaiman; Patrick Doyle; |
| 674 | Enhanced Detection of Single Molecule and Stochastic Interactions Under Nanoconfinement Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I will show our new method to employ the nanoconfinement effect of the nanopipette tip to detect small molecules, including nucleotides and short peptides, with high event rates and high signal-to-noise ratio. |
Santosh Khatri; Jin He; |
| 675 | Unique Stretching Dynamics of Single Ring Polymers in 3-Dimensional Flows Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we report the direct observation of ring DNA dynamics in 3D flow fields using single molecule techniques. |
Hung Nguyen; Charles Schroeder; |
| 676 | Entropic Force of Cone-tethered Polymers Interacting with A Planar Surface Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We consider the following cases: (1) a single freely-jointed tethered chain, (2) a single semiflexible tethered chain, and (3) several freely-jointed chains of equal length each tethered to the cone tip. |
James Polson; Roland MacLennan; |
| 677 | Molecular Mechanism of Chain Expulsion from A Diblock Copolymer Micelle Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We will present results of coarse-grained dissipative particle dynamics simulations that characterize the trajectory of chain expulsion and furnish insights into the core-block conformations during expulsion from a micelle. |
Sarah Seeger; Timothy Lodge; Kevin Dorfman; |
| 678 | Scattering Model to Analyze Non-Gaussian Deformations of Dilute Polymers Solutions in High Shear Flows Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We introduce a new modeling framework that resolves non-Gaussian deformations of polymers in high shear flows through moments of the chain conformation distribution. |
Anukta Datta; Katie Weigandt; Xiaoyan Wang; Ryan Murphy; Patrick Underhill; Matthew Helgeson; |
| 679 | Nanopore Tomography for Quantitative Assessment of Geometrical Parameters of Filamentous Fd Bacteriophage Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we apply NT methodology to measure the diameter of fd, a long, filamentous bacteriophage translocating through a solid-state nanopore at high salt concentrations. |
Arjav Shah; Kun Li; Slaven Garaj; Patrick Doyle; |
| 680 | Electrokinetic Brownian Dynamics of Current Blockade of A DsDNA Through A Nanopore Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Brownian Dynamics (BD) simulation has been shown to be effective for understanding and providing physical insights into the complex processes of long dsDNA translocation through … |
Swarnadeep Seth; Aniket Bhattacharya; |
| 681 | Role of Blend Asymmetries on The Thermodynamics of Highly Confined Polymer Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we present a computational study using field theoretic simulations to investigate the impact of polymer-nanoparticle interactions on the phase separation dynamics and equilibrium structure of polymer blend nanocomposites. |
Anastasia Neuman; Trevor Devine; Daeyeon Lee; Robert Riggleman; |
| 682 | Applying Macromolecular Crowding Models to Simulations of Cellulose Nanocrystals Assembly Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Through our modeling work, we investigate the implication of macromolecular crowding in a periodic system that contains symmetric ellipsoidal particles. |
Jiaxin Hou; William Sampson; Ahu Dumanli; |
| 683 | Hybrid Thermoplastic Elastomers Using Bottlebrush Block Copolymer Grafted Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Current TPEs are limited by a narrow modulus range and low melting points, restricting the working range of processed parts. A potential method for overcoming such shortcomings is the use of bottlebrush polymers in which the polymer backbone is densely grafted with polymer chains, resulting in entanglement-free systems which aid in lowering the modulus of the material. |
Jensen Sevening; |
| 684 | Formation of Nanoparticle-block Copolymer Hybrids in Competitive Solvents Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The present work provide new opportunities for the fabrication of BCP-based hybrid nanomaterials having potential applications in drug delivery, diagnostics, catalysis, for energy harvesting materials, optical devices, etc. |
Jaroslaw Paturej; Labeesh Kumar; Andriy Horechyy; Bhanu Nandan; Jaroslaw Klos; Jens-Uwe Sommer; Andreas Fery; |
| 685 | Structure and Rheological Properties of Polymer Nanocomposites with Bimodal Nanoparticle Sizes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we introduce bimodal-sized nanofillers to PNC to examine how particle size distribution affects PNC structure and physical properties. |
Seong Min Jo; So Youn Kim; |
| 686 | Hyperuniform Structure in Polymer-Grafted Nanoparticle Assemblies Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: At fixed polymer molecular weight we find that a bimodal distribution of gold nanoparticle diameters could be used to influence the strength of hyperuniformity. |
Daniel Long; Michael Ouweleen; Andrew Drake; Kyoungweon Park; Anesia Auguste; Andrew Gillman; Lawrence Drummy; |
| 687 | Self-Assembly of Conjugated Block-Copolymers and Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we present the fabrication of well-ordered nanowire arrays of conjugated polymers and nanoparticles based on the binary self-assembly of a conjugated block-copolymer, poly(3-hexylthiophene)-block-poly(ethylene glycol) (P3HT- b-PEG) and nanoparticles at the air-liquid interface. |
Park So-Jung; |
| 688 | Elucidation of Chain Dispersity Effect on Structure and Mechanical Properties of Brush Particle Solids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This contribution will present brush chain dispersity as a ‘design parameter’ that enables the concurrent enhancement of Young’s modulus and fracture toughness, while also facilitating increased inorganic loadings. |
Michael Bockstaller; Ayesha Abdullah; Yuqi Zhao; Jaejun Lee; Zongyu Wang; Krzystof Matyjaszewski; Kevin Ferguson; Levent Burak Kara; Eric Harper; Lawrence Drummy; |
| 689 | Jammed Nanoparticle Structures in Polymer Nanocomposite Films Exhibit Improved Nanomechanical Properties Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: For poly(methyl methacrylate) grafted silica nanoparticles (PMMA-NP) and poly(styrene- ran-acrylonitrile) (SAN) films, unique polymer nanocomposite (PNC) morphologies are … |
Russell Composto; Shawn Maguire; Robert Carpick; John McClimon; |
| 690 | Phase Behavior of Polymer-grafted Nanoparticle Blend Films Via Thermal and Solvent Vapor Annealing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: As thermal annealing (TA) may be challenging to enable high mobility in large PGNP systems, we utilize alternate methods, such as solvent vapor annealing (SVA) and Direct immersion annealing (DIA), to process dissimilar binary PGNP systems of polymethyl methacrylate silica (PMMA-SiO2) and polystyrene acrylonitrile blend silica (PSAN-SiO2) (acrylonitrile content = 13%). |
Akhtar Gul; Kshitij Sharma; Jirameth Transangpradit; Michael Bockstaller; Krzystof Matyjaszewski; Alamgir Karim; |
| 691 | Importance of Polymer Ligand Conformation to Entropy-Driven Assembly of Nanoparticles Within Block Copolymer Particles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Herein, we demonstrated the precise spatial alignment of polystyrene-grafted Au nanoparticles (Au@PS) within onion-like polystyrene- b-poly(4-vinylpyridine) (PS- b-P4VP) block copolymer (BCP) particles depending on the parameters related to the conformation of PS ligands, including the ratio of PS block molecular weight ( M n) to PS ligand M n ( P/N), core size of Au@PS ( r), and grafting density of PS ligands ( σ). |
Meng Xu; Kang Hee Ku; Young Jun Lee; Jaeman Shin; Hongseok Yun; Bumjoon Kim; |
| 692 | Implicit Chain Particle Model for Polymer Grafted Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, the limitations of the length and time scales of MD make it prohibitively costly to study systems involving more than a few PGNs. Here, we address some of these challenges by proposing a new modeling paradigm for PGNs using a strain-energy mapping framework involving potential of mean force (PMF) calculations. |
Zhenghao Wu; Subhadeep Pal; Sinan Keten; |
| 693 | In Situ Observation of Metal Precipitation on Metal Oxide Using Polymer Brushes As A Template By X-ray Absorption Spectroscopy Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we tried to deposit Pd on the TiO2 surface using a polymer brush on the substrate as a “template” without the adsorption of metal ions to the polymer. |
Maiko Nishibori; Kakeru Ninomiya; Akira Miyano; Kazutaka Kamitani; Kazuo Kato; |
| 694 | Continuous Transition of Close-packed Structures of Block Copolymer Micellar Colloid Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We investigated close-packed structures of strongly segregated block copolymer micellar colloids using X-ray scattering and simulation-based scattering pattern analysis. |
Sangwoo Lee; |
| 695 | Unraveling The Phase Behavior of Block Copolymer Materials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The ability to efficiently explore phase space using commercially available chromatography systems should prove broadly useful in the study of multiblock polymers with increasingly complex sequences that are designed to tailor the structure and properties of soft materials. |
Christopher Bates; |
| 696 | Ordered States in Diblock Copolymer Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This presentation will discuss predictions from self-consistent field theory (SCFT) for blends of AB and B’C diblock copolymers, where the prime indicates a (potentially) different degree of polymerization, for the case where the segregation strength between the A and C blocks is strong. |
Kevin Dorfman; |
| 697 | Non-native Block Copolymer Morphologies Via Blending and Layering Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This talk will discuss non-equilibrium strategies for generating non-native morphologies. |
Kevin Yager; |
| 698 | Topological Effect on Self-Assembly of High Interaction Parameter Block Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Block copolymers (BCPs) with high χ value, polystyrene- block-polydimethylsiloxane (PS- b-PDMS), have drawn intensive attention due to their rich phase behaviors. Lamellar phase … |
Rong-Ming Ho; |
| 699 | Simulations on Solution Assembly of Amphiphilic Grafting Polymers: from Comb to Bottlebrushes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present our findings on the effects of chain architectures on micelle formations and their bending rigidity. |
Yeojin Choe; Juhae Park; Abelardo Ramirez-Hernandez; Su-Mi Hur; |
| 700 | Molecularly Informed Field Theoretic Models of Surfactant Formulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we present molecularly informed field theoretic models of formulations involving surfactants. |
My Nguyen; Kevin Shen; Nicholas Sherck; Stephan Koehler; Rohini Gupta; Kris Delaney; M. Scott Shell; Glenn Fredrickson; |
| 701 | Multiscale Modeling of Viscosity Index Improver (VII) Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We demonstrate the capability of this approach by predicting various thermodynamic properties, including critical micelle concentrations and phase transitions, of a model system consisting of acrylic copolymers in a model base oil. |
Charles Li; M. Scott Shell; Glenn Fredrickson; Kris Delaney; |
| 702 | Molecular-Dynamics Simulations of The Glass Transition in Hydrated Nafion Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this paper, we have performed a fully atomistic classical molecular-dynamics simulation of hydrated Nafion at various hydration levels and annealing rates. |
Alexey Lyulin; Soumyadipta Sengupta; Anna Varughese; Pavel Komarov; Arun Venkatnathan; |
| 703 | Helical Wrapping of Carbon Nanotubes By Wormlike Chain Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we present an analysis of polymer statistics at the surface of the polymer-SWNT system using the standard wormlike chain (WLC) model. |
Nigel Andersen; Jeff Chen; |
| 704 | Spectral Representation of Sequence-defined Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we show how a spectral representation of sequences presents a representation more amenable to uncovering fundamental links between sequence and structure. |
Oliver Xie; Bradley Olsen; |
| 705 | Computational Methods for Analysis of Small Angle Scattering Data from Polymer Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we will present our ongoing work extending CREASE to provide structural information from scattering experiments of network structures. |
Stephen Kronenberger; Arthi Jayaraman; |
| 706 | Correlations in Hard- and Soft-Core Generic Polymer Models Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we compared the correlation effects on the structural and thermodynamic properties of the hard- and soft-core models given by the polymer reference interaction site model (PRISM) theory. |
Qiang Wang; |
| 707 | Exploring The Density of States of Helical Homopolymer Systems Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The density of states of a system is an important tool that can be used to analyze the thermodynamic properties of a physical system. This talk will explore the use of the density of states and its derivatives to understand the structural transitions exhibited by a helical homopolymer model that will produce either long single-helix structures or folded two-helix bundles. |
Matthew Williams; |
| 708 | Analyzing Anisotropic Structure in Soft Materials from Small Angle Scattering Profiles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Previous work in our group led to the development of ‘Computational Reverse Engineering Analysis for Scattering Experiments’ (CREASE) method to identify relevant length-scales in isotropic structures and reconstruct their three-dimensional structure. In this talk we will demonstrate the steps we have taken to extend CREASE to analyze 2D scattering profiles and quantify a) the distribution of sizes and shapes of anisotropic structural elements (i.e., building blocks or domains they form) and b) orientational and positional ordering of these structural elements within the soft material. |
Nitant Gupta; Arthi Jayaraman; |
| 709 | Influence of Photo-induced Bond-breaking and Bond-formation on Phase Separation Kinetics Polymeric Fluids: DPD Simulation Insights Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we report the role of alternate cycles on domain morphology by varying bond-breaking probability for both sets. |
Awaneesh Singh; |
| 710 | Open-source Code for Langevin Field-Theoretic Simulation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We provide an open-source Langevin field-theoretic simulation (L-FTS) for the block copolymer (BCP) field-based simulations. |
Daeseong Yong; Wonjun Kang; Jaeup Kim; |
| 711 | "Chemical Transistor" Effect in Two-dimensional Amine-functionalized Graphene Oxide Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we developed a layer-by-layer structure with NH 3 + binding sites based on multilayered graphene oxide and polyethylenimine membrane and focused on the permeation mechanism of four anions: Cl -, NO 3 -, SO 4 2-, and PO 4 3-. |
Siyu Chen; |
| 712 | Ultra-Low-Frequency Longitudinal Acoustic Phonon Modes Provide Insight Into Polymerization Kinetics of Epoxy and Dual-Cure Resins Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Utilizing the LAMs, we have developed a "chemically agnostic" method to monitor polymerization kinetics with much better signal-to-noise than traditionally possible. |
Robert Chimenti; Alexandra Lehman-Chong; Jianwei Tu; James Carriere; Alyssa Sepcic; Joseph Stanzione; Samuel Lofland; |
| 713 | Photobase Initiated Network Formation for Two-Photon Polymerization Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We demonstrate that a photobase generator within a mixture of multifunctional thiol and multifunctional acrylate monomers can lead to rapid formation of a molecular network. |
Madelyn Jeske; David Harding; Mitchell Anthamatten; Aofei Mao; Xi Huang; Yongfeng Lu; |
| 714 | Computational Reaction Networks Applied to Reaction Cascades in EUV Lithography Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, they are difficult to employ when reaction mechanisms and products are not thoroughly understood. Here we describe new methods of CRN generation and analysis that seek to overcome these limitations. |
Samuel Blau; Eric Sivonxay; Brett Helms; Frances Houle; Patrick Naulleau; |
| 715 | Atomistic Modeling Approach for Predicting Association of Ionic Salts in Extreme Ultraviolet Polymeric Photoresists Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We employed atomistic molecular dynamics simulations to probe the effect of ionic and steric interactions on the dispersibility of PAGs in the polymer medium before EUV exposure, as poor dispersibility is a potential source of post-exposure feature roughness. |
Prajwal Bangalore; Fernando Escobedo; |
| 716 | Rheology and Spinnability of Polyvinylpyrrolidone Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We examine spinnability and centrifugally-spun fiber properties for polyvinylpyrrolidone (PVP) by first focusing on the influence of molecular weight and dispersity, and the choice of solvent. |
Louie Edano; Cheryl Slykas; Vihar Trada; Carina Martinez; Naveen Reddy; Vivek Sharma; |
| 717 | Centrifugal Force Spinnning and Volatile-entangled Vs Extensibiity-enriched Spinnability of Polymer Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we characterize the influence of macromolecular and solvent properties on the trifecta for poly(ethylene oxide) or PEO fibers produced using a bespoke centrifugal force spinning (CFS) set-up and matched processing parameters. |
Cheryl Slykas; Jorgo Merchiers; Carina Martinez; Louie Edano; Vihar Trada; Naveen Reddy; Vivek Sharma; |
| 718 | On Polyethylene Oxide – Polyvinylidene Fluoride Blends and Their Nanofibers Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Blends of polyethylene oxide (PEO) – Polyvinylidene Fluoride (PVDF) were obtained by using three different procedures: PEO-PVDF(I) blends are obtained by dispersing PEO within … |
Alexandro Trevino; Karen Martirosyan; Carlos Delgado; Dorina Chipara; Manuel Peredo; Karen Lozano; Victoria Padilla; Mircea Chipara; |
| 719 | Soft Matter in 3D Printing: from Polymer Confinement to Nanoparticle Alignment Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Conventional confinement phenomena include the quantum-confined effect and the polymer chain topologies in thin films. Inspired by these effects, this study will include a few phenomena in the advanced manufacturing of polymer materials that serve as templates to direct the organization and assembly of nanoparticles. |
Kenan Song; |
| 720 | Additive Packaging Solutions: RF Transparent Coatings for Heterogeneous IC Integration Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We describe methods to overcome coarse surfaces, flexible substrates, and precise area coverage of thin coatings. |
Lucas Unger; Christopher Molinari; Yuri Piro; Bradley Pothier; sam fedorka; Gary Walsh; Corey Shemelya; |
| 721 | 1-Second Rapid Shear-Rolling Process for Unidirectionally Aligned and Perpendicularly Oriented Block Copolymer Nano-patterns for A Roll-to-Roll Scale Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, we introduce the 1-second rapid shear-rolling process at very high temperatures to achieve highly & unidirectionally aligned perpendicular lamellar structures of PS- b-PMMA without special surface treatment even in contact with a PDMS pad. |
Junghyun Cho; Jeong Gon Son; |
| 722 | The Morphology and Phase Behavior of Diblock Polymer Double-gyroid Thin Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using self-consistent field theory, we modelled DG thin films and studied the resulting 3D composition profiles to identify the phenomena that drive the preference for certain orientations of DG in a thin film, and to predict the conditions at which DG could be the globally stable mesophase. |
Benjamin Magruder; Kevin Dorfman; |
| 723 | Influence of Molecular Packing and Confinement on The Glassy State Properties of Polymer Brushes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we apply ellipsometry and fluorimetry to investigate the physical aging response of polymer brushes. |
Sneha Srinivasan; Quanyin Xu; Biao Zuo; Rodney Priestley; |
| 724 | Influence of Elasticity on Fingering Instabilities Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this contribution, we charecterize the pinching dynamics and extensional rheology response of model Boger fluids using dripping-onto-substrate (DoS) rheometry protocols, resulting in measurable viscoelastic effects even though elastic properties such as modulus and first normal difference are either below the resolution limit of torsional rheometers or a source of elastic instabilities. |
Fahed Albreiki; Vivek Sharma; |
| 725 | Can Interparticle Contacts in Polymer Nanocomposites Be Tuned Via Photothermal Heating of The Particle? Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Ideally, particle-matrix interactions would be strong during fabrication to maximize dispersion and then altered to favor particle-particle contact and expel inter-particle matrix after solidification. We present results utilizing photothermal heating of multi-walled carbon nanotubes (CNT) to explore this paradigm. |
Laura Clarke; Erin Crites; Jason Bochinski; |
| 726 | Hybrid Nanomanufacturing of Gas-controlled Electrospin/spray for Breathable Composite PPE Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Processing parameters and its implication on loading, morphology, and throughput is discussed. The processing-structure-property relationships of the said method are examined with textile functionalities in mind, such as air permeability, water vapor transmission rate, and its protection and gas-soprtion capabilities such as air particle filtration. |
Jay Park; Taiyo Yamaguchi; Yrvanie Joseph; |
| 727 | Crowded and Bimodal Size Nanoparticle Diffusion in Polymer Melts By ToF-SIMS Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work provides insight into NP diffusion mechanisms in crowded and mixed-NP nanocomposites using the unique capabilities of ToF-SIMS. |
Kaitlin Wang; Russell Composto; Karen Winey; |
| 728 | Curing Condition Influences The Piezoresistivity of MWNT/epoxy Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work establishes the causal relationship between curing condition and the piezoresistivity of MWNT/epoxy nanocomposites through considering the contribution of the molecular structures of polymer matrices. |
Fangxin Zou; Ting-yui Wong; Tao Yu; |
| 729 | Strong and Robust Composites Based on Recycled Polyurethane Products Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, we demonstrate an alternative approach to utilize recycled polyols, obtained by glycolysis of industrial scrap foam, to fabricate strong and robust organic/inorganic composites suitable for structural applications. |
Mohammad Galadari; Divya Iyer; Fernaldy Wirawan; Vanessa Huaco; Ricardo Martinez; Michael Gallagher; Laurent Pilon; Kanji Ono; Dante Simonetti; Guarav Sant; Samanvaya Srivastava; |
| 730 | Damping Characteristics of Polyurea Nanocomposites Over An Extreme Range of Strain Rates Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Polyurea nanocomposites are used as encapsulants and coatings to increase durability, corrosion, or impact resistance of surfaces. Undoped polyurea has exceptional toughness and … |
Christine Roberts; Jessica Kopatz; Brian Fox; Cody Kunka; Elizabeth Jones; Chad McCoy; Shawn Pautz; Rekha Rao; Christopher Riley; Brett Sanborn; Justin Wagner; |
| 731 | Recyclable Polymer Network Nanocomposites and Composites Via Dynamic Covalent Bonds: Achieving Full Cross-link Density and Other Property Recovery After Reprocessing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: It is also important to demonstrate that properties of reprocessable networks can be optimized to meet ongoing demands for high-performance materials. We have designed several network nanocomposites and composites that demonstrate that such performance demands can be met while maintaining polymer circularity and contributing to sustainability. |
John Torkelson; |
| 732 | Bound Polymer Layer Induced Mechanical Enhancement in Polymer Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we focus on the significant effect of the bound polymer layer on the enhancement of physical properties by preparing PNC melts with different distributions of unimodal and bimodal molecular weight (MW) polymers. |
Tae Yeon Kong; So Youn Kim; |
| 733 | Quantifying Localized Stresses in A Single Fiber Reinforced Polymer Composite Utilizing Mechanophores Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we employed spiropyran (SP) mechanophore within polydimethylsiloxane (PDMS) matrix to visualize the stress localization during fracture in a single fiber-reinforced system. |
Nazmul Haque; Chelsea Davis; |
| 734 | Using Field Theoretic Simulations to Study The Thermodynamics of Core-Shell Bottlebrush Copolymers Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we combine thermodynamic integration with theoretically-informed Langevin dynamics (TILD), a field-theoretic simulation technique, to investigate the solubility of nanoparticles in block copolymers with varied architectures. |
Christian Tabedzki; Robert Riggleman; |
| 735 | Development of Polyurethane/r-GO Nanocomposites with Improved Self-healing Properties Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: In recent years, self-healing coatings have been the subject of increasing research interest due to their ability to self-repair local damages caused by external forces. Polymeric … |
Kiriaki Chrissopoulou; Evangelia Giannakaki; Kosmas Giannaris; Minas Stylianakis; Spiros Anastasiadis; |
| 736 | Elucidating The Impact of Lignin Molecular Weight and Composition on The Network Structure and Transport Properties of Lignin-based Hydrogel Composites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, the heterogenous nature of lignin obstructs our ability to accurately understand how the presence of lignin alters the network structure and ultimately the mechanical and transport properties of these soft composites. To address this gap in our knowledge, a collection of physically crosslinked lignin–poly(vinyl alcohol) (PVA; MW ~133 kDa) soft composites were synthesized using the freeze-thaw method. |
Keturah Bethel; Graham Tindall; Mark Thies; Eric Davis; |
| 737 | Tuning Crystallization Pathway Via Confinement Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we present how to tune polymer crystallization pathways by introducing soft confinement and varying the chain structure. |
Christopher Li; |
| 738 | Crystallization of Sustainable Polyethylene-Like Materials Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Bio-sourced polyethylene-like polymers have been synthesized as possible substitutes for commodity polymers derived from fossil fuel feedstocks. Their crystalline and mechanical … |
Rufina Alamo; |
| 739 | Recent Progress in Molecular Simulation of Flow Induced Crystallization: Biaxial Flows Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We use molecular simulations to characterize nucleation in flowing melts of linear, polyethylene-like chains, both with and without entanglements. |
Gregory Rutledge; David Nicholson; Chinmay Gangal; |
| 740 | Revisiting Crystallization Pathways in PEO-b-PCL Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have shown that crystallization order and crystallinity can be manipulated using different film preparation conditions. |
Ryan Van Horn; |
| 741 | Polymer Chains Fold Prior to Crystallization Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I would like to summarize our recent efforts on understanding folding structure of a semicrystalline polymer in the melt-grown crystals by using solid-state NMR spectroscopy. |
Toshikazu Miyoshi; |
| 742 | Hope for Higher Ion Velocities in Polymer Electrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We conclude by describing our efforts to develop new polymers that exhibit higher ion velocities than PEO. |
Nitash Balsara; |
| 743 | Tuning Ion and Polymer Dynamics of Single-Ion Polymer Electrolytes By Crystalline Plasticizers or Cross-linking Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Dielectric relaxation spectroscopy (DRS) and oscillatory shear are used to investigate ion dynamics of a series of poly(lithium acrylate) (PLiA)-based single-Li + conducting polymer electrolytes, where PLiA is either copolymerized with poly(ethylene glycol) methyl ether methacrylate in N-methylacetamide for non-aqueous polymer electrolytes or cross-linked with vinyl silica nanoparticles in water for aqueous polymer electrolytes. To deduce the mechanism of ion transport in these single-ion conducting gel polymer electrolytes (SGPEs), the Macdonald and Onsager models are used to separately determine the number density of conducting ions and their mobility and to understand mobile isolated dipole motions, from analysis of electrode polarization and dielectric constant in DRS. The electrochemical performance is also explored in the SGPE assembled with electrodes, as supercapacitors or lithium-metal batteries. |
U Hyeok Choi; Seonho Kim; Puji Handayani; Su Sung Yun; Jaekyun Kim; |
| 744 | Tracking Salt Concentration Gradients and Block Copolymer Electrolyte Phase Transitions Using in Situ SAXS During Cell Polarization Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we study polystyrene- block-poly(ethylene oxide) (SEO) mixed with lithium bis-(trifluoromethanesulfonyl)imide (LiTFSI) salt in lithium-lithium symmetric cells under constant applied current. |
Emily Abdo; |
| 745 | Diffusive Charge Transport in High-Valency Redox-Active Polymer Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Building on previous simulation and theory of charge transport mechanisms in monovalent RAPs with implicit salt, we now extend our model to consider higher valency RAP solutions. |
Liliana Bello Fernandez; Charles Sing; |
| 746 | Revealing Local Structure and Dynamics in Li-salt Electrolytes Using Dielectric Relaxation Spectroscopy Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, a set of Li-salt in liquid electrolytes is studied as a model system to examine correlations between several electrolyte properties, including conductivity, dielectric relaxation time and strength, ionicity, and viscosity. |
Benjamin Paren; Graham Leverick; Benjamin Burke; Jeffrey Lopez; Yang Shao-Horn; |
| 747 | Enhanced Dielectric Strength and Capacitive Energy Density in Ultrathin Glassy Polymer Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we demonstrate that ultrathin glassy polymer films (~100 nm) show an order of magnitude higher dielectric strength ( EBD) and capacitive energy density ( Umax ∝ EBD2) of ~27 J/cm 3 as compared to the bulk polymer films when used as dielectric capacitors. |
Maninderjeet Singh; Alamgir Karim; Jack Douglas; |
| 748 | Ultra-high Capacitive Energy Density in Heterostructure of Polymer and Stratified 2D Layered Nanofiller Composites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work will provide to achieve thin film based large-scale fabrication of high-density energy storage devices using low-cost polymer nanocomposites for myriads of potential applications for flexible electronics. |
Nihar Pradhan; Priyanka Das; Maninderjeet Singh; Pabitra Sammanta; Roshanak Nejat; Banarji Behera; Brian Shook; Qiqi Zhang; Qilin Dai; Avijit Pramanik; Paresh Ray; Dharmaraj Raghavan; Jerzy Leszczysnki; Alamgir Karim; |
| 749 | Zwitterionic Polymers for Capacitance Applications Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using a simple incompressible discrete gaussian-chain mean-field theory with electrostatic interactions, we demonstrate that zwitterionic polymers exhibit dielectric constants on the order of hundreds. |
Dorian Bruch; Zhen-Gang Wang; |
| 750 | Hairy Nanoparticles Improve Cycling Stability of A Solid-State Polymer Electrolyte Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The development of solid electrolytes that prevent dendrite growth while providing the desired level of conductivity is essential for improving the cycling stability of solid-state Li metal batteries. In this paper, we report the synthesis of single Li-ion conducting hairy nanoparticle (NP) materials that improved the cycling stability of a model solid polymer electrolyte without significant reduction in its conductivity. |
Vera Bocharova; Chelsea Chen; Seung Pyo Jeong; Zhengping Zhou; Robert Sacci; Catalin Gainaru; Md Anisur Rahman; Ritu Sahore; Xiao-Guang Sun; Pengfei Cao; Andrew Westover; |
| 751 | Impact of Dispersion Characteristics on Ionomer Thin Film Properties Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This talk focuses on the impact of dispersion’s solvent composition and processing on spin-cast ionomer thin films (<100 nm), which are used as model systems for catalyst ionomers. |
Ahmet Kusoglu; Ashley Bird; |
| 752 | Study of The Structure and Segmental Dynamics of Solid-polymer-based Composite Cathode Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work examines the structure and segmental dynamics of a model polymer electrolyte in a polymer-based composite cathode consisting of LiFePO4 (LFP), carbon and poly(ethylene oxide) (PEO) with lithium bis(trifluoromethanesulfonyl)imide (LiTFSI). |
Chelsea Chen; Charles Soulen; Mary Burdette-Trofimov; Xiaomin Tang; Changhao Liu; Luke Heroux; Mathieu Doucet; Madhusudan Tyagi; Gabriel Veith; |
| 753 | Characterization of A Multivalent Charged Electrolyte Using Electrochemical Method and Electrophoretic NMR Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In the present work, we have designed a new electrolyte of a polyanionic lithium salt containing a negative charge of -20, dissolved in ethylene carbonate/dimethyl carbonate mixed solvent. |
Saheli Chakraborty; David Halat; Darby Hickson; Nitash Balsara; |
| 754 | Organic Acid Anion Transport in Imidazolium Ionomers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using 2D NMR (e.g., NOESY) and molecular dynamics simulations, we report imidazolium cations have favorable moiety interactions, such as π-π interactions in the case of aromatic organic acids, that mediate their transport along the polymer backbone. |
Christopher Arges; Yupo Lin; Matthew Jordan; Tanmay Kulkarni; Hishara Gallage Dona; Dodangodage Senadheera; Revati Kumar; |
| 755 | Controlling Complexation Between Anionic Gels and Cationic Antimicrobials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Self-defensive surfaces that resist bacterial colonization have been increasingly studied over the past decade. We have explored such surfaces using microgels of polyacrylic acid (PAA). |
Wenhan Zhao; Matthew Libera; |
| 756 | Ion-ion Correlations in Concentrated Electrolytes Using A Fluctuating Dynamic Field Theory Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we will describe the results of applying a stochastic kinetic theory approach to concentrated charged systems. |
Patrick Underhill; |
| 757 | Image-charge Effects on Peptide Adsorption Near Graphene/water Interface: A Molecular Dynamics Study Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we study the adsorption of charged peptide ACE-X-NME on graphene/water interface using molecular dynamics simulations, incorporating image charge particles (ICPs) and constant potential method. |
Lee Sangmin; Chang Yun Son; |
| 758 | Molecular-scale Experimental Characterizations of Multivalent Ion Distributions Near Electrified Graphene Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We utilize high resolution x-ray reflectivity and elementally-sensitive resonant anomalous x-ray reflectivity to measure the in situ water and metal ion organization near graphene electrodes. |
Amanda Carr; Seung Eun Lee; Sang Soo Lee; Ahmet Uysal; |
| 759 | Recovery of Fatty Acid Monolayers By Divalent Salts Investigated By Sum-Frequency Generation Spectroscopy Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Langmuir monolayers consisting of fatty acids with relatively short alkyl chains (C 14H 29COOH (pentadecanoic acid), C 15H 31COOH (palmitic acid), and C 16H 33COOH (heptadecanoic … |
Doseok Kim; |
| 760 | Ions Salting Out Ions at The Water-Air Interface Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Through the interfacial water’s O-H stretch mode signal, we find that more hydrophobic ions are salted out to the interface in the presence of the hydrophilic ions. |
Takakazu Seki; Chun-Chieh Yu; Kuo-Yang Chiang; Xiaoqing Yu; Mischa Bonn; Yuki Nagata; |
| 761 | Depth Resolved Nonlinear Vibrational Spectroscopy A Charged Liquid Interfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: With our new depth resolved vibrational spectroscopy tool, in which we combine Sum- and Difference-Frequency Generation spectroscopy (SFG and DFG, respectively), we can extract precise depth information within regions with broken centro-symmetry and correlate it to specific vibrational features[1]. |
Alvaro Diaz Duque; Martin Thämer; Martin Wolf; |
| 762 | X-ray Absorption Spectroscopy of Extractant Binding to Rare Earth Ions at Aqueous Surfaces Relevant to Solvent Extraction Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This presentation will describe our advancements of synchrotron X-ray absorption spectroscopy to investigate the local coordination of ion-extractant binding at the surface of water, which serves as a model system relevant to the extraction of rare earth ions. |
Erik Binter; Pan Sun; Michael Brown; Artem Gelis; Mrinal Bera; Wei Bu; Mark Schlossman; |
| 763 | Model Solvent Extraction System Confirms Enhancement of Lanthanide Extraction By Bilayer Structures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have studied solvent extraction of lanthanides from aqueous solutions to organic solvents containing model extractants, and correlated the results to the interfacial structures. |
Yanlin Li; Sangjun Yoo; Pulak Dutta; Travis Douglas; Wei Bu; |
| 764 | Effect of Ion-ion Correlations on The Distribution of Halide Anions (Cl-, Br-, I-) and Rb+ at The Muscovite (001)–water Interface Under High Salinity Conditions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This study is an extension of previous work on adsorption of alkali metal Rb + and halides Cl – and I – on muscovite (001), demonstrating the onset of nonclassical charge overscreening by adsorbed Rb in high salinity solutions (i.e., [Rb] > 0.1 M). |
Julia Neumann; Sang Soo Lee; Eric Zhao; Paul Fenter; |
| 765 | Self-consistent Theory to Describe Charge Inversion and Like-charge Attraction in Multivalent Electrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This does not allow PB to even qualitatively explain the phenomena of charge inversion and like-charge attraction in multivalent electrolytes. Here we present the first rigorous and self-consistent theory to explain them. |
Nikhil R. Agrawal; Rui Wang; |