Highlights of Polymer Physics (DPOLY) Talks @ APS 2024 March Meeting
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TABLE 1: Highlights of Polymer Physics (DPOLY) Talks @ APS 2024 March Meeting
| Paper | Author(s) | |
|---|---|---|
| 1 | Some Factors Affecting Inter-layer Weld Strength in Material Extrusion 3D-printed Amorphous and Semicrystalline Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Being based on a layer-by-layer deposition, the extent of welding occurring between the layers largely affects the mechanical response of the printed material. To gain a molecular understanding of this process, we conducted experiments and molecular modeling on both amorphous and semicrystalline polymers. |
Dario Cavallo ; Zakarya Baouch ; Claire Mcllroy ; Andrea Costanzo; |
| 2 | Bottlebrush Polymers, Networks, and Devices Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I will describe our recent efforts to understand and apply bottlebrush polymers. |
Liheng Cai; |
| 3 | Designing Advanced Macromolecules for Advanced Manufacturing: Balancing Reactivity, Rheology, and Resolution Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our research has focused on light-based AM modalities due to the unique combination of low energy consumption, exceptional resolution that enables less material consumption in latticed architectures, and the opportunity to print high molecular weight polymers with low viscosities. |
Tim Long ; Christopher Williams; |
| 4 | Directed Self-assembly of Thermoplastic Elastomers Via 3D Printing for Mechanically Tailored Soft Architectures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Ultimately, we have demonstrated the ability to induce up to 85x greater tensile modulus along the print direction compared to perpendicular to the print direction. |
Emily Davidson ; Alice Fergerson; |
| 5 | Heating at A Patterned Photothermal Interface Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We describe the realization of the new technology, HAPPI printing using a commercial Sylgard 184 polydimethylsiloxane resin, comparative analyses of material properties, demonstration of HAPPI in targeted applications, and commercialization of HAPPI technology to prosthetic and orthotic markets. |
AJ Boydston; |
| 6 | Orthogonal Dynamic Bonds Generate Multiple Relaxation Processes in Soft Networks with Different Polymer Architecture Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work provides molecular insights for the predictive design of hierarchical dynamics in soft materials. |
Sirui Ge ; Yu-Hsuan Tsao ; Christopher Evans; |
| 7 | Crystallization in Vitrimers Probed By Time-domain NMR and Complementary Methods Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We confirm crystallinities beyond 90% and observe the crystallization kinetics as well as crystal-crystal transformations in real time [4]. |
Kay Saalwaechter ; Bhaskar Soman ; Christopher Evans ; Alexander Osterbaan ; Alexa Kuenstler ; Christopher Bowman; |
| 8 | Influence of Associative Dynamic Covalent Cross-links on Poly(ethylene Oxide)-block-polystyrene Vitrimers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we study how adding associative dynamic covalent bonds affects the block copolymer order-disorder transition temperature ( T ODT) and nanostructure. |
Daniel Barzycki ; Ralm Ricarte; |
| 9 | Mechanical Insights Into Hybrid Vitrimer Network Behavior Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The primary objective is to determine a critical concentration of the dynamic bonds that would suppress the low-temperature creep while retaining the self-healing and reprocessability of vitrimer networks. In this study, we use a hybrid Molecular Dynamics – Monte Carlo model to study the dynamics of glassy hybrid vitrimer networks with different reactive sites while subjecting them to triaxial stretching experiments and comparing their behavior to permanently crosslinked networks. |
Harsh Pandya ; Fardin Khabaz; |
| 10 | Dynamic Bonds Drive Broad Fluctuations of Chain Stretch in Elongated Associative Polymer Melts Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we apply coarse-grained molecular dynamics simulations to model the nonequilibrium dynamics of APNs during nonlinear elongational flows for varying association strength, coordination, and strain rate. |
Songyue Liu ; Thomas O’Connor; |
| 11 | Challenges & Recent Progress in The Processing of Vitrimers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In a second step, we will present our recent success in the formation of phase separated blends between a vitrimer phase and a thermoplastic phase by reactive processing. |
Damien Montarnal; |
| 12 | Using Catalytic Control of Dynamic Bond Exchange to Understand Flow and Self-Assembly in Model Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we will discuss recent efforts in our lab to link the rheological behavior at varying amplitudes and frequencies to underlying chemical mechanisms of exchange using model systems where the loading or species of catalyst can be used to tune bond exchange in chemically-identical networks. |
Alexa Kuenstler; |
| 13 | Mechanism of Shear Thickening in Dynamic Covalent Hydrogels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: While dynamic covalent hydrogels with a range of bond exchange timescales have been developed, their properties under flow are less well studied. In this context, we have developed synthetic multi-arm poly(ethylene glycol) (PEG) hydrogels with three different dynamic covalent linking chemistries: boronic ester, hydrazone, and thia-conjugate addition bonds. |
Adrianne Rosales ; Anne Crowell ; Thomas FitzSimons; |
| 14 | Exploring The Application of Electrochemical Stimulus to Dynamic Disulfide Based Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, this talk will focus on how we are leveraging the electrochemical properties of disulfide-based polymer particles to demonstrate unique adaptive functionality. |
Shrayesh Patel ; Stuart Rowan ; Garrett Grocke ; Hongyi Zhang; |
| 15 | Covalent Adaptable Networks from Ethylene/1-Octene Multi-block Copolymers: Effects of Melt Flow Index and Crystallinity on Thermomechanical Properties and Reprocessability Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Olefin block copolymers (OBCs) such as ethylene/1-octene multi-block copolymers are widely produced for numerous industrial applications. The properties of OBCs stem from … |
Logan Fenimore ; Boran Chen ; Yixuan Chen ; Stephanie Barbon ; Hayley Brown ; Evelyn Auyeung ; Colin Li Pi Shan ; John Torkelson; |
| 16 | Fully Reprocessable, Non-isocyanate Polyurethane Networks: Dual Thionourethane and Disulfide Cross-links in Non-Isocyanate Polythiourethane Networks Provide Advantages Over Polyhydroxyurethane Network Analogues Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we report on the first study of the reprocessability and properties of non-isocyanate polythiourethane (NIPTU) networks with dual cross-links, thionourethane-based and disulfide-based, the latter obtained by auto-oxidation of pendant thiol groups. |
John Torkelson; |
| 17 | From Micro to Macro: Predicting Polymer Blend Toughness Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: While computational techniques have recently made strides, substantial work remains in translating microscopic simulation insights into macroscopic predictive tools. In this case study, we develop a micromechanical model and show how to parameterize it with self-consistent field theory to predict macroscopic glassy polymer blend toughness. |
Debra Audus ; Robert Ivancic; |
| 18 | GPU-Accelerated Three-Dimensional Polymer Density-Functional Theory Calculations of Block Copolymer Self-Assembly Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: For example, 3D DFT calculations of BCP self-assembly have never been reported. Here we report such calculations, accelerated by the massive parallelization of GPU, for a DPD model of conformationally asymmetric diblock copolymer melts 1 using a variant 2 of the CMS polymer DFT. |
Juntong He ; Qiang Wang; |
| 19 | Langevin Field-Theoretic Simulation for ABC-type Polymer Systems Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this research, we investigate how the partial saddle point approximation method can overcome the sign problem in polymer field theory simulations of the block copolymers (BCPs). |
Daeseong Yong ; Jaeup Kim; |
| 20 | Reproducible Coarse-grained Thermoplastic Modeling Using FlowerMD Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We briefly describe how the structure of PEKK and PPS welds depend on processing conditions and conclude with a discussion of adding new recipes and capabilities. |
Eric Jankowski ; Chris Jones ; Rainier Barrett ; Marjan Albooyeh; |
| 21 | Atomistic and Coarse-Grained Molecular Dynamics Simulations of Epoxy Network Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using chemistry-informed atom grouping, potential of mean force calculation, and a universal correction to the force field, we have developed a coarse-grained (CG) model of network epoxy polymers prepared with the EPON 862 resin (diglycidyl ether of bisphenol F) hardened by diethyltoluenediamine (DETDA). |
Xi Hao ; Chengyuan Wen ; Gary Seidel ; Shengfeng Cheng; |
| 22 | Determining The Limit of Extrapolation for Macromolecular Machine Learning Potentials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we analyze the consequences of this approach in polymeric systems, specifically the limitations of extrapolating long-chain and branched polyalkane potentials from ab-initio energetics of smaller hydrocarbons. |
Natalie Hooven ; Rose Cersonsky; |
| 23 | Capturing Polymer Network Statistics Using Branching Random Walks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our work presents the first analysis of polymer networks as a BRW and sets the framework for developing a generalizable spatial branching model for studying the macroscopic evolution of polymeric systems. |
Shaswat Mohanty ; Wei Cai ; Zhenyuan Zhang ; Jose Blanchet; |
| 24 | Mesoscopic Modeling of Dynamically Helical Polymers: Cooperative Phenomena & Topological Properties Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However 1D Ising models cannot describe the conformational properties of a polymer in three dimensional (3D) space. Therefore we develop a mesoscopic molecular model for dynamical helical polymers, combining the worm-like chain representation with special chiral potentials [2]. |
Keerti Chauhan ; Maurice Schmitt ; Kurt Kremer ; Peter Virnau ; Kostas Daoulas; |
| 25 | Conformation-orientation Coupling in Helical Polymers from Atomistic Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we apply all-atom molecular dynamics (MD) simulations and thermodynamic integration to quantify the conformation-orientational coupling for iPP. |
Wenlin Zhang; |
| 26 | Simulation of The Dynamics of Surface-Tethered Linear, Helical, and Bottlebrush Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we demonstrate the use of proper orthogonal decomposition (POD) to compute the relaxation modes of a variety of polymer architectures when tethered to a surface, and demonstrate quantitative agreements with neutron scattering measurements of similar systems – enabling us to better interpret the dynamics of more complicated polymer architectures. |
Michael Hore ; Ankit Saha ; Carolyn Miller ; Nehal Nupnar; |
| 27 | Use of Microcanonical Inflection Point Analysis for Understanding Phase Transitions in Polymer Simulation Results Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I present my work employing Microcanonical Inflection Point Analysis—a method gaining traction in the field of computational statistical physics—as a powerful tool for investigating phase transitions in helical homopolymers. |
Matthew Williams; |
| 28 | Effect of Branch Point Fluctuations on Dynamics of Entangled Star Polymers: A Slip-spring Simulation Study Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We examined the dynamical properties of entangled star-branched polymers using a discrete slip-spring model where motional constraints due to entanglements are imposed through slip-springs. |
Takeshi Sato ; Ronald Larson; |
| 29 | Simulation of Block-copolymer-membrane Fabrication Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: SNIPS – a sequence of evaporation-induced self-assembly (EISA) and subsequent, nonsolvent-induced phase separation (NIPS) of block copolymer solutions – provides a bottom-up approach to fabricate integral-asymmetric, isoporous block copolymer membranes. |
Marcus Müller ; Niklas Blagojevic; |
| 30 | Controlling The Dynamics of Artificial Nucleic Acid Condensates Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: I will discuss our work toward developing artificial biomolecular condensates whose dynamics of formation and dissolution can be controlled through chemical reactions or external inputs. |
Elisa Franco; |
| 31 | Traveling Bands of Liquid Droplets from Stoichiometrically Skewed Binary Condensation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: By monitoring the interface between a P nanostar solution and a Q nanostar solution, we observe stoichiometry-dependent kinetics in the band of liquid condensate droplets that form. |
Connor Chatfield ; Deborah Fygenson; |
| 32 | Versatile DNA Origami Subunit Design for Self-assembled Structures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: By contrast, we introduce a design principle, exploiting a modularity concept, to make a versatile subunit that can target an abundant variety of self-assembled structures. |
Wei-Shao Wei ; Daichi Hayakawa ; Rupam Saha ; Thomas Videbaek ; W. Benjamin Rogers ; Seth Fraden; |
| 33 | Exploiting Floppy Modes in Geometrically-frustrated Assemblies Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We propose how alternative designs such as triangular building blocks on a Kagome lattice may lead to further improvements to size. |
Michael Wang ; Gregory Grason ; Sourav Roy ; Christian Santangelo; |
| 34 | How Does A DNA Motor Turn Around A Corner on DNA Origami? Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our study reveals the intricate nanomechanical effects of motor-origami performance for complex motion, thus contributing to the advancement of DNA nanorobotics. |
Hon Lin Too ; Pei Yang ; Winna Siti ; Zhisong Wang; |
| 35 | Performing Isothermal Molecular Amplification in Nanocavities with Tunable Confinement Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, using a device approach based on pneumatic actuation of a thin membrane lid to seal an embedded nanocavity in a nanoslit, we demonstrate key steps necessary for single cavity molecular amplification. |
Walter Reisner ; Imman Hosseini ; Vahid Hamidi ; Zezhou Liu ; Xavier Capaldi ; Sara Mahshid; |
| 36 | Physics of Single-molecule Electrokinetically Driven Confinement Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we present a device that can perform molecular confinement electrically and allows direct loading of dsDNA from bulk solution. |
Matheus Pessôa ; Han Cao ; Michael Austin ; Sara Mahshid ; Walter Reisner; |
| 37 | Equilibrium Dynamics and Organization of Two Cavity-confined Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We find that the tendency for polymers to segregate is enhanced by increasing polymer width. |
James Polson ; Desiree Rehel; |
| 38 | Ni-DNA-based Thin-film NDR Device Development Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we developed a flexible gold nano thin-film device by sputtering the gold on a PET substrate. |
Yu-Chun Lin ; Meng-Wei Hsieh ; Kuan-Cheng Lu ; Chia-Yu Chang ; Wen-Bin Jian ; Yu-Chang Chen ; Chia-Ching Chang; |
| 39 | The Structural Change Associated with Amorphous Solidification: A General Order Parameter Description Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The answer proposed in this paper is to measure a configuration’s capacity to restrain the motion of the constituent atoms. |
Peter Harrowell ; Gang Sun ; Charlotte Petersen; |
| 40 | Description of Short-range Order in Glass Formers Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Unlike crystals, liquids and amorphous solids do not possess a long-range order. This does not mean that a local arrangement of molecules is completely random. MD simulation of … |
James Caruthers ; Grigori Medvedev ; Jack Yungbluth ; Brett Savoie; |
| 41 | Probing The Ultimate Density and Stability of Disordered Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: With this system, surface mobility is independent of temperature, and full equilibration can be obtained to ~0.75 Tg, with ρ(T=0) increasing to ~ 0.78, stability ~1000 times. We find that such equilibration creates icosahedral neighborhoods (densest local sphere packing), whose concentration increase linearly with log(swap intensity) to c_icos(T=0) ~5 %. |
Richard Stephens; |
| 42 | General Behavior of Ultrastability and Anisotropic Molecular Packing in Co-deposited Organic Semiconductor Glass Mixtures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we study the stability and anisotropic molecular packing of six co-deposited 50:50 organic semiconductor glass mixtures. |
Shinian Cheng ; Yejung Lee ; Junguang Yu ; Lian Yu ; Mark Ediger; |
| 43 | High-density Stable Glasses Formed on Soft Substrates Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we demonstrate that on soft, rubbery substrates, surface-mediated equilibration is enhanced up to 170 nm away from the interface, forming stable molecular glasses with densities up to 2.5% higher than liquid-quenched glasses, within 2.5 hours of deposition. |
Peng Luo ; Sarah Wolf ; Shivajee Govind ; Richard Stephens ; Donghyup Kim ; Cindy Chen ; Truc Nguyen ; Patryk Wąsik ; Mikhail Zhernenkov ; Brandon Mcclimon ; Zahra Fakhraai; |
| 44 | Large Mismatch in Tg Values Does Not Impede Formation of Stable Co-deposited Glasses Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we study the co-deposited glasses of methyl-m-toluate (MMT) and methyl acetate (MeAc), both small molecules that form stable glasses through vapor deposition. |
Megan Tracy ; Ranko Richert ; Mark Ediger; |
| 45 | Probing Bond Angle Orientations in CuZr Glass Using Fluctuation X-ray Scattering and Angular Cross-Correlation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Combining Fluctuation X-ray Scattering (FXS) and Angular Cross Correlation Analysis (ACCA) provides a quantitative framework for characterizing angular correlations. |
Catherine Weibel ; Jerome Hastings ; Peihao Sun ; Giulio Monaco; |
| 46 | Effect of Fragility on The Stability and Thermodynamic Properties of Amorphous Te-Ge Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we show changes in the stability of amorphous as-prepared TeGe films prepared with different growth parameters. |
Christopher Madsen ; Manel Molina-Ruiz ; Bengisu Yasar ; Aitor Lopeandia ; Llibertat Abad ; Frances Hellman; |
| 47 | Dense Co-deposited Glasses of Organic Semiconductors Have Enhanced Thermal Stability Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We find that, regardless of the composition, highly stable glasses can be prepared. |
Yejung Lee ; Shinian Cheng ; Mark Ediger; |
| 48 | Investigating The Kinetic Stability of Highly Confined Molecular Glasses Using In-situ Solvent Vapor Annealing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we investigate the influence of nanoconfinement on the mechanisms and rate of solvent diffusion and uptake in Molecular Nanocomposites (MN) through in-situ solvent vapor annealing coupled with spectroscopic ellipsometry. |
Kritika Jha ; Afrah Chowdhury ; Zahra Fakhraai; |
| 49 | Influencing Crystal Nucleation By Glass Preparation Method Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This presentation seeks to explain the relationships between preparation conditions and crystal nucleation rates. |
Sarah Wolf ; Sarah Kono ; Dustine Izzo; |
| 50 | Self-healing in Glasses with A Little Push Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Based on these ideas and using molecular dynamics simulations, we show that segmental mobility in deeply quenched glasses is accelerated by oscillatory shear deformations, a result that strongly depends on different regimes of deformation amplitudes related to the local or global breaking of molecular cages. We use this principle to induce healing of mechanical fractures in a regime of oscillatory deformations which maintains the bulk system below the glass transition and enhances the mobility around the crack, where surface effects speed up the segmental dynamics. |
Andrea Giuntoli; |
| 51 | Tuning Thermal Properties of Copolymers Via Monomer Sequence and Interactions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: To understand experimental deviations from the Fox equation, we prepared and analyzed polymers with identical compositions but different sequences. |
Sundol Kim ; Rodney Priestley ; Richard Register; |
| 52 | Can We Correlate The Nature of Electronic Disorder to Structural Dynamics in Polymer Semicondcutors? Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Because of the high back-bone rigidity, the individual chains of these macromolecular semiconductors do not entangle, supporting a “liquid-crystalline”-like behaviour with pronounced structural dynamics. Here, we discuss on the example of PBTTT, which is known to be thermotropic, that the liquid-crystalline behavior strongly influences the optoelectronic landscape of such “hairy-rod” polymers. |
Natalie Stingelin; |
| 53 | A Reactive Monte Carlo Model of Molecular Doping in Organic Semiconductors Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present a reactive Monte Carlo model that samples the morphologies of molecularly doped OSCs to clarify the dependence of the doping efficiency on local electrostatics, integer charge transfer reaction free energy, and film morphology. |
Archana Verma ; Nick Jackson; |
| 54 | Biomimetic Designs for Semiconducting and Light-Emitting Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I will introduce our new molecular design and chemical synthesis concepts for semiconducting and light-emitting polymers, which enabled the incorporation of various biomimetic properties, such as stretchability, bioadhesive properties, tissue-like softness, and immune-compatible properties. |
Sihong Wang; |
| 55 | Stereoselectivity in Charge and Spin Transport: From Open-Shell Nonconjugated Monomers to Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work offers the first glimpse at stereoregularity for controlling spintronics-related electronic and magnetic properties in radical polymers. |
Hyunki Yeo ; Bryan Boudouris ; Frank Leibfarth ; Cole Sorensen ; Hamas Tahir ; Yun-Fang Yang ; Nick Legaux; |
| 56 | Influence of The Planarity of DPP-BTZ D-A Copolymer Backbone on The Charge Transport Characteristics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This presentation focuses on a newly synthesized semiconducting polymer resulting from the copolymerization of diketopyrrolopyrrole (DPP) and benzotriazole (BTZ) units. |
Jiyoul Lee; |
| 57 | Engineering Spontaneous Orientation Polarization in Organic Semiconductor Thin Film Via Molecular Blending Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This study offers further insight into how dipole-dipole interactions impact the molecular orientation in organic semiconductor thin films and a route to engineer SOP via polar-polar blending. |
Brian He ; Ryker Rofshus ; Evgeny Pakhomenko ; Russell Holmes; |
| 58 | Barrier Modification of The Metal Contacts By An Ultrathin Oxide Layer in Organic Field-Effect Transistors Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We demonstrate the reduction of the Schottky barrier height in bottom-contact top-gate organic field-effect transistors by adding 1 nm of atomic layer deposited Al 2O 3 layer on Au contacts. |
Arash Ghobadi ; Cherian Mathai ; Shubhra Gangopadhyay ; Suchismita Guha; |
| 59 | Bond Breaking Kinetics in Mechanically Controlled Break Junction Experiments: A Bayesian Approach Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our proposed Bayesian reasoning offers a powerful and general approach when interpreting inherently stochastic data that yield broad, asymmetric distributions for which analytical models of the distribution may be developed. |
Dylan Dyer; |
| 60 | Near-edge X-ray Absorption Fine-structure Spectroscopy of Benzothienobenzothiophene at Carbon and Sulfur K-edges Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we perform near-edge X-ray absorption fine-structure (NEXAFS) spectroscopy of 2,7-didecyl[1]benzothieno[3,2-b][1]benzothiophene (C10-BTBT). |
Paul Chantler; |
| 61 | Perforated Graphene Source Electrode for Improved Subthreshold Swing and Miniaturization of Vertical Organic Field Effect Transistors (VOFET) Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We found that the perforation size has an impact on the subthreshold swing (SS) of the device, which controls the device on/off speed. |
Gaurav Shukla ; Ramesh Bisht ; Pramod Kumar; |
| 62 | Giant Magnetoresistance and Inverse Spin Hall Effect in Non-Conjugated Radical Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we investigate the spin-transport characteristics of two non-conjugated radical polymers named poly (4-glycidyloxy-2,2,6,6-tetramethylpiperidine-1- oxyl) (PTEO), and poly[3-(4-(1-(3-methoxy-2-methylpropyl)-1 H-1,2,3-triazol-4-yl)phenyl)-1,5-dimethyl-1 H-1,2λ 2,4,5-tetrazin-6(5 H)-one], poly(verdazyl ethylene oxide) (PVEO). |
Hamas Tahir ; Carsten Flores-Hansen ; Kangying Liu ; Sheng-Ning Hsu ; Zihao Liang ; Neil Dilley ; Bryan Boudouris ; Brett Savoie; |
| 63 | Many-body Charge Transport Physics of Heavily Doped Polymer Semiconductors Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this transport regime there is on the order of one charge per molecular repeat unit, and naturally the transport is highly correlated because of the many-body Coulombic interactions between charges and dopant counter-ions, as well as between like charges. In this study we investigate the transport physics of polymer semiconductors at such high carrier densities, which has been experimentally made possible through the use of organic electrochemical transistor and the recently developed ion-exchange doping technique. |
Dionisius Hardjo Lukito Tjhe ; Xinglong Ren ; Ian Jacobs ; Gabriele d’Avino ; Tarig Mustafa ; Thomas Marsh ; Lu Zhang ; Yao Fu ; Ahmed Mansour ; Yuxuan Huang ; Wenjin Zhu ; Ahmet Hamdi Unal ; Vincent Lemaur ; Claudio Quarti ; Jin-Kyun Lee ; Iain McCulloch ; Martin Heeney ; Norbert Koch ; Clare Grey ; David Beljonne ; Simone Fratini ; Henning Sirringhaus; |
| 64 | Elucidating The Impact of Charge Transfer on Organic Spontaneous Orientation Polarization Via Kelvin Probe Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we find the magnitude of SOP to be strongly influenced by the type of metal underlayer. |
Evgeny Pakhomenko ; Sage Martin ; Russell Holmes; |
| 65 | Advances in The Spatial & Temporal Characterization of Structure Development During Extrusion 3D Printing Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Additive manufacturing (AM), or 3D printing, is used to rapidly process polymeric materials into complex geometries. Extrusion-based AM is one of the most popular techniques. … |
Benjamin Yavitt; |
| 66 | Digital Assembly of Spherical Viscoelastic Bio-ink Droplets (DASP): A Conceptually New Bioprinting Technology Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we develop a voxelated bioprinting technique for the digital assembly of spherical particles (DASP), which are effectively zero-dimensional voxels – the basic unit of 3D structures. |
Jinchang Zhu ; Liheng Cai; |
| 67 | Oral: Development of A Cell-degradable Photopolymerizable Resin for Additive Manufacturing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: TK chemistries have yet to be utilized in a 3D printable manner. Therefore, we have created TK-based resins which undergo photo-crosslinking on a commercial SLA printer. |
Reinaldo Dos Santos ; John Martin; |
| 68 | 3D Printable Modular Soft Elastomers from Physically Crosslinked Homogeneous Associative Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We design and synthesize linear-associative-linear (LAL) triblock copolymers, where the associative middle block consists of amide groups that form double hydrogen bonds, while the linear end blocks aggregate into hard glassy domains that act as strong crosslinks. |
Myoeum Kim ; Shifeng Nian ; Daniel Rau ; Baiqiang Huang ; Jinchang Zhu ; Guillaume Freychet ; Mikhail Zhernenkov ; Li-Heng Cai; |
| 69 | Effects of Polymerization and Microstructure on The Printing and Annealing of Acrylonitrile-Butadiene-Styrene (ABS) for Material Extrusion Additive Manufacturing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, the processing-structure-property relationships are evaluated using as-printed and annealed impact strength between four ABS grades with distinct characteristics, i.e., polymerization methods (mass vs emulsion polymerization), and uni- or bimodal distribution of rubber particles. |
Jay Park ; Juhyeong Lee; |
| 70 | Enhancing Fused Filament Fabrication Capabilities with Co-extruded Thermoplastic Filaments Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Examples in the present study will include polyolefin FFF printing and soft TPE filaments that are susceptible to buckling under the pressures of the extrusion process. |
Jay Park ; Ethan Hasz; |
| 71 | Controlling Inter-filament Fusion in Embedded 3D Printing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We find that the spacing between filaments greatly impacts their ability to fuse, and that filaments must be printed closer together than the ideal space-filling distance in order to fuse together. |
Leanne Friedrich ; Jeremiah Woodcock; |
| 72 | Fabrication and Characterization of Laser Patterned Electrochromic Layer By Layer Thin Film Devices Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This technique uses the well-known layer by layer approach of repeated dipping of a substrate in alternating charged solutions. |
Kaelyn Leake ; Tristan Eberbach ; Hank Yochum; |
| 73 | Oral: Conformal Direct Ink Write Additive Manufacturing Through Robotics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, there is limited research on the effects of the additional freedom on the material properties. This work will investigate these orientation effects (mechanical properties, geometrical fidelity and fiber alignment) using a robotic arm on an anisotropic material. |
Robert Lahaie ; Anesia Auguste ; James Hardin; |
| 74 | Control of Crystallinity in 3D Printed PEEK: Post-deposition Solvent and Thermal Annealing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This presentation will describe various methods to control the crystallinity, crystal structure, and spatial distribution of the polymer crystal structures, which in turn dramatically impacts the mechanical properties. |
Mark Dadmun ; Austin Riggins ; Bhanuka Ekanyake ; Bingqian Zheng ; Hilmar Koerner; |
| 75 | Tailoring Semicrystalline Polymer Blends for Extrusion-based Additive Manufacturing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The goal of this work is to provide fundamental understanding of the complex changes that take place during extrusion-based printing of semicrystalline polymer blends and thereby assist in developing tailored compositions for consistent and reliable AM processing. |
Arit Das ; Michelle Pomatto ; Robert Moore ; Michael Bortner; |
| 76 | Characterization Methods to Inform Reactive Molecular Dynamics Simulations of The BMI Resin Curing Process Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we investigate a variety of experimental characterization methods that can complement reactive molecular dynamics (MD) simulation and help build a clearer picture of the BMI cure process. |
Britannia Vondrasek ; Trevor Wavrunek ; Cecil Evers ; Zhiyong Liang ; Michael Czabaj ; Gregory Odegard; |
| 77 | Data-driven Strategies to Navigate Sequence, Composition, and Architectural Complexity in Polymer Physics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I will describe our efforts to combine simulation, machine learning, and concepts of polymer physics to navigate complex polymer design spaces and accurately construct structure-function relationships in diverse applications. |
Michael Webb; |
| 78 | Phase Diagram Predictions of Various Polymer Macromolecules in Solution Using Transfer Learning Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work aims to extend the former framework for ML and physics-interpretable models to that of other polymer architectures such as star-shaped and polymer-grafted nanoparticle (PGN) solutions. |
Jeffrey Ethier ; Devin Ryan ; Richard Vaia; |
| 79 | Machine-learned Closure for Polymer Liquid State Theory Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we describe our efforts to develop a machine learning (ML)-based closure relationship for PRISM theory. |
Thomas Gartner; |
| 80 | Interpretable Machine Learning of Phase Separated Microstructures in Polyurethane Block Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We use the temperature-dependent structure factor to characterize phase separation in our systems. |
Dominic Robe ; Adrian Menzel ; Andrew Phillips ; Peter Daivis ; Sarah Erfani ; Ellie Hajizadeh; |
| 81 | Machine Learning-accelerated Molecular Design of Innovative Polymers: Advanced Manufacturing, Extreme Conditions, and Sustainable Energy Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: A grand challenge in designing these polymeric materials is the vast design space on the order of 10 100, defined by the almost infinite combinations of chemical elements, molecular structures, and synthesis conditions. To tackle this challenge, I will present our recent works on developing a data-driven molecular simulation strategy that can efficiently discover and design novel polymers with unprecedented yet predictable combinations of properties. |
Ying Li; |
| 82 | Predicting Aggregate Morphology for Varying Composition and Sequences in Sequence-defined Macromolecules Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we harness our recurrent neural network (RNN) architecture to predict aggregate morphology, accounting for both sequence and composition variations. |
Debjyoti Bhattacharya ; Wesley Reinhart; |
| 83 | Accelerating Copolymer Design Via Machine Learning Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we survey and assess the efficacy of several machine learning methods for predicting copolymer properties and propose methods to improve their performance and transferability. |
Tarak Patra; |
| 84 | Predicting The Glass Transition of Complex Polymers Via Integration of Machine Learning, Molecular Modeling and Experiments 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 drastic differences in their chemical structures. |
Wenjie Xia; |
| 85 | Effect of Localized Active Fluctuations in Conformation and Dynamics of Chromosomal DNA Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we introduce a mathematical framework that integrates the spatial and temporal patterns of the fluctuations on a flexible polymer to different observables that describe the dynamics and conformations of the polymer. |
Andrew Spakowitz; |
| 86 | Microtubule Self-assembly Is Controlled By The Topological Activity of Ring and Linear DNA in Microtubule-DNA Composites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we investigate the time-dependent structural and mechanical properties of similar DNA-microtubule composites, undergoing in situ enzymatically-driven linearization and fragmentation of DNA rings, to determine the impact of DNA digestion on the self-assembly of the microtubule network. |
Karthik Reddy Peddireddy ; Mehdi Shafiei Aporvari ; Juexin Marfai ; Rae Robertson-Anderson; |
| 87 | Effective Interactions Between Double-stranded DNA Molecules in Aqueous Electrolyte Solutions: Effects of Molecular Architecture and Counterion Valency Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Umbrella sampling simulations were performed, and effective potentials have been computed by employing the weighted histogram analysis method. |
Terpsichori Alexiou ; Christos Likos; |
| 88 | The Underappreciated Role of Nonspecific Attractions in Crystallization of DNA-coated Colloids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I will show that other non-specific attractive interactions do in fact alter the structure of DNA-programmed colloidal crystals and how changes in the particle synthesis can tune the strength of non-specific interactions. |
Hunter Seyforth ; Manodeep Mondal ; Thomas Videbaek ; William Rogers; |
| 89 | SAT-assembly: A Method for Model-driven Inverse Design of Self-assembling 3D Lattices, Capsids, and Polycubes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The goal of inverse design problem is hence to find a set of blocks that reliably assemble in high yield into a target structure while avoiding kinetic traps and alternative competing states. We present here design method “SAT-assembly”, which solves this problem by mapping the design problem in terms of different building block types and interactions between them to Boolean Satisfiability problem (SAT). |
Petr Sulc; |
| 90 | Sliding Tubules: Adding Additional Degrees of Freedom to Anneal Self-assembled DNA Origami Structures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Introducing new degrees of freedom can alleviate these kinetic traps. In this talk, I will describe how we apply these ideas to reduce polymorphism in self-assembled tubules. |
Thomas Videbaek ; Daichi Hayakawa ; William Rogers; |
| 91 | Scaling Down Bioreactor Processes to Create Unimolecular Supercoiled, Cyclic, and Linear DNA for Study of Topology Effects in Soft Materials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We report up to 100 mg/mL solutions of unimolecular DNA. |
Nathan Oldenhuis; |
| 92 | Deformation of Kinetoplast DNA in Microfluidic Racetracks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Found in the mitochondria of the trypanosome parasite, kDNA are comprised of topologically interconnected small loops of DNA which create an effectively two-dimensional catenated network. In this work we examine the flow-induced deformation in kinetoplast as they translate through a microfluidic racetrack. |
Alexander Klotz ; Nicholas Cuomo; |
| 93 | Single-molecule Dynamics of Tethered DNA in Shear Flow: The Effect of Viscosity Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we combine experiment and simulation to study the effect of buffer viscosity on DNA flow-stretching and DNA fluctuations. |
Andreas Hanke ; Fatema Zohra ; Huda Al-Zuhairi ; Daniel Leon ; Hyeongjun Kim; |
| 94 | Characterizing The Nucleation and Crystal Growth of DNA Origami Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I will describe our experimental approach to quantifying the nucleation and growth of crystals formed from octahedral DNA origami nanoparticles.In particular, we study crystallization of DNA origami confined to monodisperse water-in-oil droplets made via microfluidics. |
Myeonggon Park ; Shenkai Li ; Hunter Seyforth ; William Rogers; |
| 95 | Force-induced Structural Transitions in DNA Nanostructures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we investigate the deformation of the building blocks of DNA nanostructures, linear dsDNA chains and circular rings, in elongational flow. |
Arjav Shah ; Beatrice Soh ; Patrick Doyle; |
| 96 | DNA-Functionalized Nanoparticles in Mixed Electrolytes: Salting In, Out, and Beyond Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we analyze how interactions between nanoparticles grafted with non-base-pairing DNA change with the composition of the surrounding electrolyte. |
Roger Reinertsen ; Sumit Kewalramani ; Monica Olvera De La Cruz ; Michael Bedzyk; |
| 97 | Anatomy of A Vapor Deposited Glass Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: During deposition, the dielectric loss of the film rises quickly at first, and then near linearly with time. The analysis of these deposition curves reveals a slightly different structure near the substrate, a bulk of the film that does not change the loss behavior for 50,000 s after deposition, and a surface layer of more mobile material. |
Ranko Richert ; Megan Tracy ; Mark Ediger; |
| 98 | Computer Simulations of Molecular Liquids at The Experimental Glass Transition Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present a Monte Carlo algorithm which allows efficient equilibration of computer models for simple molecular glass-formers down to temperatures close and below the experimental glass transition. |
Ludovic Berthier; |
| 99 | Cage Escapes Cause Cage Escapes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: A persistent question regarding the dynamics of supercooled liquids and glasses is whether the increasing strength and range of spatiotemporal correlations in these dynamics as temperature decreases is causal, with local plastic rearrangements perturbing their neighborhoods and causing new rearrangements to occur nearby, or merely correlational, resulting from correlations of hidden variables in the structure that might be predicted via a purely thermodynamic theory. We introduce a simple test which shows that while correlations of structure likely to influence the dynamics are present, these can only account for part of the dynamical correlations seen in particle simulations. |
Rahul Chacko ; François Landes ; Giulio Biroli ; Olivier Dauchot ; Jorge Kurchan ; Andrea Liu ; David Reichman; |
| 100 | The Local Density of Collective Basin Hops Required to Relax Topological Constraints to Α Relaxation Is Temperature-Independent Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: From our analysis, we provide evidence that the local network of constraints to α relaxation fails at a local fraction of basin crossing events that is fixed and temperature-independent for a given system. |
Marcus Cicerone ; David Simmons ; Jesse McDaniel; |
| 101 | The Role of Spatially Heterogeneous Dynamics in Ultrastable Glasses Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We show that the dynamic heterogeneity of the bulk liquid is passed on to the front that propagates heterogeneously in space and intermittently in time. |
Mark Ediger ; Cecilia Herrero ; Ludovic Berthier; |
| 102 | Excitations, Emergent Facilitation and Glassy Dynamics in Supercooled Liquids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we present a theory that unveils the microscopic origins of dynamical facilitation. |
Muhammad Hasyim ; Kranthi Mandadapu; |
| 103 | The Influence of Vibrational Modes on Sound Attenuation in Two Dimensional Glasses Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our work highlights the importance of understanding the influence of the full spectrum of vibrational modes on the low-temperature properties of solids. |
Elijah Flenner ; Grzegorz Szamel; |
| 104 | Dynamical Theory of Network Glasses Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, I consider a specific class of glasses, the so-called “network glasses”, in which specific pairs of particles exhibit long-lived interactions, often through covalent bonding. |
Max Hall-Brown; |
| 105 | The Glass Transition of Co-Amorphous Pharmaceutical Molecular Glasses Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: The glass transition temperature (T g) and related dynamics are investigated for binary miscible mixtures of a small molecule pharmaceutical and an excipient using differential … |
Sindee Simon ; Elaheh A. T. Moghadam; |
| 106 | Descriptors for Mobility of Thermal and Athermal Glass-forming Systems Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: The temperature dependence of mobility of glass-forming systems while in the super-Arrhenian regime is a long-standing unsolved problem in condensed matter physics. Previous work … |
Jack Yungbluth ; Grigori Medvedev ; James Caruthers ; Brett Savoie; |
| 107 | Theory of Bauschinger Effect in Glassy Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We propose a theory for strain hardening and Bauschinger effect. |
Didier LONG ; Thomas MERLETTE ; Paul SOTTA ; Florence Clément; |
| 108 | Coarse Graining to Predict Molecular Orientations in Evaporated Organic Thin Films Morphologies Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we employed coarse-grained molecular dynamics simulations to replicate vacuum deposition experiments and generate the morphology of evaporated thin films consisting of organic semiconductor materials. |
Muhammad Nawaz Qaisrani ; Naomi Kinaret ; Felix Post ; Christoph Scherer ; Andriy Zhugayevych ; Falk May ; Wolfgang Brütting ; Denis Andrienko; |
| 109 | Decoupling How Structure and Processing Affects The Properties of Liquid Crystal Elastomers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I will focus on our work to decouple the effects of structure, composition, and processing on the properties of liquid crystal elastomers. |
Devesh Mistry ; Meg Coleman ; Viola Huf ; Alanoud Al Suwaidan ; Matthew Reynolds ; Jiancong Xu ; Daniel Baker ; Richard Mandle ; Mamatha Nagaraj ; Helen Gleeson ; Oliver Harlen ; Daniel Read; |
| 110 | Mesoscale Simulations of Liquid Crystalline Diblock Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have developed a mesoscale model that we are using to study both isotropic-to-nematic and smectic phases as well as the order-disorder phase transitions of SCLC diblock copolymers. |
Austin Meng ; Robert Riggleman; |
| 111 | Self-assembly and Liquid Crystal Behavior of Computationally Designed Peptide Coiled-coil Bundlemers with Parallel Symmetry Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Computationally designed α-helical peptides formed by 29 amino acids can assemble into the homotetrameric, parallel coiled coils in the aqueous solution, which are also called … |
Zihan Zhang ; Jacquelyn Blum ; Jeffery Saven ; Christopher Kloxin ; Darrin Pochan; |
| 112 | Liquid Crystalline Nonconjugated Open-Shell Organic Molecules Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work focuses on understanding the crystalline and LCs structures shown by a class of 2,2,6,6-tetramethyl-1-piperidinyloxyl (TEMPO) derivatives. |
Suman Debnath ; Hyunki Yeo ; Bryan Boudouris; |
| 113 | Entropic Barrier Theory of Polymer Melting and Energy Cascade Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We will present a theory of melting kinetics of semicrystalline polymers at temperatures above the equilibrium melting temperature, by accounting for conformational entropy of chains during melting and the characteristics of lamellae. |
Murugappan Muthukumar; |
| 114 | Molecular Dynamics Simulations of Flow Induced Crystallization of A Simple Polymer Melt Model Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Nucleation is the first step of this complex, nonequilibrium process, and though it has been extensively studied, there are still fundamental questions about its mechanism that remain unanswered. Our study focuses on the role of shear flow in the orientation and alignment of model polymer melts without chemical detail, and the nematic order developed in these melts. |
Tzortzis Koulaxizis ; Antonia Statt; |
| 115 | Effects of Entanglements on The Crystallization and 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. We introduce a simple, yet quantitative model without adjustable parameters, 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; |
| 116 | Rheological Hysteresis in Semicrystalline Polymers During Crystallization and Melting Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We observe that for a given temperature rheological properties are dependent on if the polymer is crystallizing or melting; the polymer exhibits thermal-rheological hysteresis. |
Paul Roberts ; Anthony Kotula; |
| 117 | Specific Work As A Useful Way to Describe Flow of Polyethylene During Injection Molding Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we will describe how specific work can be used to describe the observed polymer orientation, morphology, and crystallization behavior in an injection molded bar. |
Ken Kearns ; Michelle Mejia ; Preston McDaniel ; Daniel Ramirez ; Marius Chyasnavichyus ; Hunter Goldensoph ; Carl Reinhardt ; Tom Fielitz ; John Kohn ; Kurt Koppi ; Rahul Sharma ; Fengyi Zhang ; Luca Martinetti; |
| 118 | Molecular Dynamics Simulations of Polyethylene Inter-crystalline Phase Formation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we apply atomistic molecular dynamics simulations to crystal growth in model polyethylene (PE) samples. |
Lingyi Zou ; Wenlin Zhang; |
| 119 | Particle Concentration Promotes Flow-Induced Crystallization of High Molecular Weight Isotactic Polypropylene Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Flow-induced crystallization occurs when semicrystalline polymer melts are subjected to large deformations prior to supercooling. The entropy reduction and chain orientation … |
Benson Jacob ; Xiaoshi Zhang ; Jongkyeong Kim ; Jason Alexander ; Manoela Ellwanger ; Alicyn Rhoades ; Ralph Colby; |
| 120 | Temperature-Dependent FTIR (TD-FTIR) Analysis of PEO-b-PCL Self-Nucleation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: These processes are altered when the crystallization sequence is inverted. We used self-nucleation studies to evaluate these changes in metastability. |
Ryan Van Horn ; Emily Rotola ; Aidan Stewart; |
| 121 | Electrostriction-enhanced Piezoelectric Property of Poly(vinylidene Fluoride) Via High-power Ultrasonication Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The insight from this study will enable us to design better piezoelectric PVDF polymers for practical electromechanical applications. |
Lei Zhu ; Guanchun Rui ; Elshad Allahyarov ; Philip Taylor; |
| 122 | Electroabsorption in The Nonconjugated Conductive Polymer Iodine-doped Polyethylene Terephthalate, An Example of Organic Metallic Quantum Dots of Subnanometer Dimensions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: 1 In this report, we will discuss results of electroabsorption measurements providing values of the imaginary part of Kerr coefficients for different doping levels of iodine. |
Mrinal Thakur ; J. Van Cleave ; MK. Elias; |
| 123 | On-Demand Wearable Piezoelectric Textiles Enabled By Lead-Free Perovskite and Conducting Polymer Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In recent years, the demand for smart textiles has been increasing day by day in healthcare devices and wearable sensor applications. In this regard, we introduce a novel approach to create a three-layer wearable textile piezoelectric nanogenerator (t-PENG) using a continuous electrospinning process. |
Bidya Mondal ; Dipankar Mandal; |
| 124 | Electrostatic Force Mediated Work Function Modulation of Polyvinylidene Crystalline Phases Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We studied how the polarity of different phases of polyvinylidene fluoride (PVDF), a flexible and sensitive ferroelectric polymer, affects its work function. |
Ajay Kumar; |
| 125 | Origins of Ultrahigh Electromechanical Response in A New Class of Relaxor Ferroelectric Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we study the phase transition behavior of the tetrapolymer as a function of FA content. |
Qiming Zhang ; Wenyi Zhu ; Wenchang Lu ; Jerry Bernholc; |
| 126 | Spectroscopic Analysis on Polyethylene Oxide Loaded with Fullerenes Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: A broad spectroscopic investigation to better understand the structure and interactions between polyethylene oxide (PEO) and fullerenes (C60) is reported. PEO-C60 nanocomposites … |
Alexandro Trevino ; Cristina Canchola ; Zachary Siehr ; Shahria Ahmed ; Dorina Chipara ; Karen Martirosyan ; Nicholas Dimakis ; Mohammed Uddin ; Mircea Chipara; |
| 127 | Surface Potential Modulation in 3D Printed Thermoelectret for Improved Mechanical Energy Harvesting and Physiological Sensing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The present research demonstrates a 3D-printed biopolymer-based thermoelectret (3D-TNG) utilized to operate in self-power mode and can collect energy from mechanical motions and bone-joint motion. |
Dalip Saini; |
| 128 | Phase Behavior of Polyethylene Oxide-Fullerene Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: A study focused on two materials with the same composition: polyethylene oxide (PEO) and fullerene (C60) is reported. |
Mircea Chipara ; Lydia Morales ; Alexandro Trevino ; Daniel DeLeon ; Karen Lozano ; Victoria Padilla ; Karen Martirosyan ; Dorina Chipara; |
| 129 | Observation of Ferroelectric Programmability in 3D Printed Metamaterials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this paper, we present the first demonstration of ferroelectric programmability of 3D printed polymeric metamaterials. |
Mohamed Roshdy ; Osama Bilal; |
| 130 | Investigation of The Bound Layer in Thin Films of Hydrophilic Polymer and Their Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Such a bound layer is known to significantly influence the structural and dynamic properties of polymer thin films and nanocomposites. In recent work, we introduced a novel approach for determining the thickness and density of this bound layer by measuring the swelling kinetics of polymer thin films exposed to solvent vapour. |
Sonam Zangpo Bhutia ; Sathish Sukumaran ; Dillip Satapathy; |
| 131 | Modifying Thermal Properties of Polyesters By Incorporating Additional Groups Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we have studied the impact of incorporating additional ester and amide groups into aliphatic polyesters with varying numbers of methylene groups between the functional groups. |
Leire Sangroniz ; Yoon-Jung Jang ; Marc Hillmyer ; Alejandro J Müller; |
| 132 | Entropic Augmentation of Coarse-Grained Potentials for Resolving Dynamics Using The Iterative Boltzmann Inversion (IBI) Method Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we study the potential dynamics of this model to determine more precisely the effect of Langevin friction and use that as a basis for model improvement. |
Frederick Phelan ; Lilian Johnson; |
| 133 | Accessibility of Ring-closing Depolymerization for Polycarbonates with Multiple Theory Validation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present an accelerated protocol to qualitatively screen polycarbonate monomers for viability of depolymerization in solvents of varying polarities. |
Brandi Ransom ; Nathan Park ; Dmitry Zubarev ; Kristin Schmidt; |
| 134 | Thermal Stiffening in Polymer Nanocomposites with Dynamically Heterogenous Interfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: There is extensive research on polymer nanocomposite systems showing that fillers can improve the mechanical properties of polymer melts through hydrodynamic interactions between … |
Rahmi Ozisik ; Andrew Ehlers; |
| 135 | Multibody Interaction Effects in The Phase Behaviors of Molten Diblock Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we investigate the necessity of effective multibody interactions in properly understanding the phase separation of molten diblock copolymers with disparity in self cohesion and association between constituent blocks. |
junhan cho ; Mingge Zhao ; Xinyue Zhang; |
| 136 | Multilayered Ordered Arrays Self-assembled from Nanoparticle Mixtures Via Salt Dialysis Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Through different combinations of two- , three-, and four-component mixtures of VLPs, we demonstrate that salt dialysis can be used as an approach to engineer multilayered ordered arrays in the presence of oppositely-charged linker macromolecules, where each layer is composed of a single type of VLP. |
Camila Faccini de Lima ; Vikram Jadhao; |
| 137 | Critical Scaling of Shear Modulus for Particle-filled Soft Elastomers in The Jamming Limit Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we focus on revealing the role of granular jamming in the strain-stiffening behaviors of soft composites. |
Yiqiu Zhao ; Qin Xu; |
| 138 | Expansion Kinetics of Single Flexible Polymers Upon Release from A Circular Cavity in Three- and Two-Dimensional Spaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we investigate the behavior of single polymers when they are instantaneously released from a spherical confinement in a d-dimensional space. |
Pai-Yi Hsiao; |
| 139 | Toughening of Soft Materials By Low-hysteretic Dissipations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This talk will discuss one low-hysteretic dissipation mechanism, strain-induced crystallization (SIC), a molecular phenomenon prevalently strengthening and toughening in elastomers. |
Shaoting Lin; |
| 140 | Exploring The Role of Crystal Thickness and Secondary Crystallization in Tie Molecule Effectiveness and Ductility Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In most applications, it is immensely desirable for semicrystalline polymers to resist brittle fracture. Tie molecules (TMs) – individual polymer chains connecting adjacent crystalline lamellae – are considered a key structural feature governing this mechanical toughness, yet little research has investigated whether all TMs are equally effective at transmitting stress. |
Katherine Gunter ; Richard Register; |
| 141 | Methodology for Characterizing Complex Strain of Polymeric Thin Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work will discuss the methodology of characterizing crazes under complex strainusing image analysis. |
Kenya Hazell ; Anesia Auguste ; Andrew Gillman ; Lawrence Drummy; |
| 142 | Creep in Yield Stress Materials Advances Through Scale-free Avalanches Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using a mesoscale elastoplastic model (EPM) with an Arrhenius activation rule, we find good agreement with experimental data and a beautiful example of self-organized criticality. |
Daniel Korchinski ; Dor Shohat ; Joerg Rottler ; Matthieu Wyart ; Yoav Lahini; |
| 143 | Onset of Mechanical Failure in Shear-jammed Dense Suspensions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We experimentally characterize the onset of crack formation in dense cornstarch suspensions under impact of known strain to investigate the mechanical failure of dynamically-jammed suspensions. |
Malcolm Slutzky ; Michael van der Naald ; Heinrich Jaeger; |
| 144 | Particle-filled Emulsion Drops Show Flow-induced Partial Coalescence, But Only Transiently Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We study the partial coalescence of particle-filled droplets under flow conditions. |
Jovina Vaswani ; Sachin Velankar ; Charles Schroeder; |
| 145 | Structure, Solubility and Solution Rheology of Poly(ionic Liquids) Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We explore the solubility, scattering properties and rheological behaviour of a poly(ionic liquid) (PIL) in 24 solvents covering a broad range of dielectric constants. |
Carlos Lopez ; Atsushi Matsumoto ; Takaichi Watanabe; |
| 146 | Gelation Dynamics in Elastomers with Branched Architecture Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work illustrates the importance of understanding and controlling structure in real time to achieve predictable properties. |
Benjamin Yavitt ; Jonathan Pham ; Sarah Barber ; Ejajul Hoque ; Kyujin Ko; |
| 147 | Evaluation of Diffusion and Dethreading in Blends of Ring and Linear Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We find that the diffusion time of a ring polymer scales like N L 3.4N R 2 in ring-linear blends. |
Daniel Vigil ; Ting Ge ; Thomas O’Connor ; Gary Grest; |
| 148 | Linking Polymer Architecture to Bubble Shape in LDPE Film Blowing Through Multistage Modeling Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: To meet the challenge of efficient modeling of film blowing with realistic constitutive equations for commercial thermoplastic melts, we present a multistage optimization modeling framework that integrates polymerization reaction modeling, rheology modeling, and bubble-shape prediction. |
Zhiqiang Shen ; Ronald Larson ; Yanan Gong; |
| 149 | Recent Advances in Polymer Viscoelasticity From General Rigid Bead-Rod Theory Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: When exploring how macromolecular architecture affects the elasticity of a polymeric liquid, we find general rigid bead-rod theory to be both versatile and accurate. |
Mona Kanso ; Alan Jeffrey Giacomin; |
| 150 | Calibration of Polymer Molecular Weight Using Solution Viscosity in Dilute and Semidilute Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we present a general framework for obtaining the weight-average molecular weights of linear polymers in a broad concentration range from solution viscosity. |
Ryan Sayko ; Ralph Colby ; Andrey Dobrynin; |
| 151 | Linking Ultra-High Strain Rate Impact Resistance of Polymers from Nano to Macro Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this contribution, we experimentally investigate the UHSR behavior of polymethyl methacrylate (PMMA) by impacting targets with projectiles at the microscale using laser-induced projectile impact testing (LIPIT) and at the macroscale using a ballistic and two-stage light gas gun. |
Kyle Callahan ; Katherine Evans ; William Heard ; Edwin Chan ; Santanu Kundu; |
| 152 | Multiscale Modeling of Nonlinear Rheology for Entangled Polymer Melts Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we will show the extension of this method to nonequilibrium rheology. |
Heyi Liang ; Kenji Yoshimoto ; Juan De Pablo; |
| 153 | Flow-Induced Nucleation As A Stabilizing Mechanism for Polymers Against Edge Fracture Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We show here a universal indicator from rheology of flow-induced nucleation that gives insight into how flow enhances crystallization in semi-crystalline polymers. |
Arshiya Bhadu ; Shaojie Xu ; Elisabeth Lloyd ; Kirt Page ; Jerry Macgraw ; Xiaoshi Zhang ; Robert Hickey ; Alicyn Rhoades ; Ralph Colby; |
| 154 | Polymer Crystallization at High Melt-supercooling Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: At such condition, crystallization may follow a homogeneous-nucleation path, and, as a consequence, semicrystalline morphologies and properties often are qualitatively different compared to crystallization at low melt-supercooling. This paper provides a comprehensive review of semicrystalline structures of both commodity and engineering polymers forming at different supercooling, and of our experimental approaches to gain such information. |
René Androsch; |
| 155 | Semicrystalline Polyethylene As A Network in The Gelation Regime Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We propose an equivalence between the mass average tie molecule probability in semicrystalline polymers and the gel fraction from the theory of networks in the gelation regime. |
August Bosse ; Jevan Furmanski; |
| 156 | Porous Melt Blown PBT Fibers with High Ductility and High Temperature Structure Stability Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Specifically, cocontinuous blends can contain a sacrificial phase which templates structure during melt blowing and can then be extracted to produce porous melt blown fibers. We applied this templating method to produce porous poly(butylene terephthalate) (PBT) fibers which display remarkable ductility and retain fine structural features at temperatures over 150 °C. Single fiber tensile testing, detailed electron microscopy, and microstructural characterization demonstrate the role of the characteristic rapid quenching and extension of the melt blowing process in defining fiber morphology and properties. |
Josh Goetze ; Cesar Benitez ; Frank Bates ; Christopher Ellison; |
| 157 | Processing-dependent Microstructure and Gas Permeability of Polyethylene Blends for Improved Oxygen Barrier Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work demonstrates a greater than expected enhancement of oxygen barrier properties in linear low-density polyethylene (LLDPE)-based materials by blending LLDPE with high-density polyethylene (HDPE). |
Kyungtae Kim ; Aristotle Zervoudakis ; Jacob LaNasa ; Greg Haugstad ; Fang Zhou ; Bongjoon Lee ; Olivier Lhost ; Yves Trolez ; Frank Bates ; Chris Macosko; |
| 158 | Establishing Structure-processing-property Relationships in 3D Printed Thermoplastic : Pi-conjugated Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Polymer processing displays at its core structure-processing-property relationships which are key for understanding the materials’ behavior and properties. As useful and promising … |
Audrey Laventure ; Jiayi Chen ; Nahel Blanc; |
| 159 | The Role of Shear and Extensional Flows in 3DP-Induced Alignment of Block Copolymer Nanostructures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we investigated the relationship between the local shear and extensional flow history and the resulting material nanostructure and extent of alignment. To accomplish this, we employed high spatial resolution imaging techniques to capture the spatial heterogeneity in structure induced by the non-uniform flow profile of 3D printing. |
Alice Fergerson ; Shawn Maguire ; Emily Davidson; |
| 160 | Residual Orientation Mapping in Material Extrusion Processes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we use polarization imaging to characterize the spatial variation in residual stress and residual chain orientation in a glassy polylactide. |
Anthony Kotula ; Jonathan Seppala ; Benjamin Dolata ; Yoontae Kim; |
| 161 | Evaluation of Fiber Orientation Measurement Techniques and Anisotropic Tensile Analysis of Additively Manufactured Carbon Fiber Poly-Lactic Acid Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The isotropy analysis of tensile strength in additive parts highlights the need to adjust print and process settings to specific boundary conditions and loading directions. |
Lucinda Slattery ; Zackery McClelland ; Samuel Hess; |
| 162 | Understanding Nonlinear Fluid Dynamics for All-aqueous Printing of A Viscoelastic Droplet in Yield-Stress Fluids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Voxelated bioprinting may provide a standardized approach for tissue engineering, transforming basic and translational biomedicine. |
Xiaoxiao Ma ; Jinchang Zhu ; Li-Heng Cai; |
| 163 | Modeling Electrosprayed Particle Assembly on Geometrically Controlled Sessile Droplet Surfaces Through Brownian Dynamics Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we utilize electrospray atomization as a nonintrusive method to deliver colloidal particles to geometrically controlled sessile droplets, enabling the creation of colloidal monolayers at the droplet surface. |
Nasir Amiri ; Joseph Prisaznuk ; Peter Huang ; Paul Chiarot ; Xin Yong; |
| 164 | Modelling The Interplay Between Printing Conditions, Rheology, and Crystallization in MatEx Additive Manufacturing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here I discuss a modelling framework to capture the interplay between MatEx conditions, rheology, and crystallization for several different polymers. |
Claire McIlroy; |
| 165 | Effects of Cooperative Association on Polymer Conformational Transition in Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: To delve deeper, we integrate the cooperative association directly into coarse-grained model to run Monte Carlo simulation and employ several techniques to improve sampling efficiency. |
Xiangyu Zhang ; Dong Meng; |
| 166 | Self-driving Lab (Polybot) for Electronic Polymer Discovery Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This research aims to develop an autonomous discovery platform in Polybot self-driving lab that allows us to rapidly go from a polymer material concept to realized manifestations of final, testable materials targeted at relevant properties. |
Jie Xu ; Yukun Wu ; Aikaterini Vriza ; Henry Chan; |
| 167 | Unravelling The Extreme Mechanics of Hierarchical Polymers Using Self-Driving Labs Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we overview our progress applying self-driving labs towards the development of materials that absorb mechanical energy. |
Keith A. Brown; |
| 168 | Automation and Active Learning for The Autonomous Design of Polymer Biomaterials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, recent advances in laboratory automation, high throughput analytics, and artificial intelligence / machine learning (AI/ML) now provide a unique opportunity to fully automate the design process. In this seminar, we put forth our efforts to develop a biomaterials acceleration platform (BioMAP) (i.e., self-driving biomaterials lab) that can rapidly iterate through design spaces and identify unique material properties that perfectly synergize with biological complexity. |
Adam Gormley; |
| 169 | The NIST Autonomous Formulation Laboratory: Solving Industrial Problems with X-Ray and Neutron Scattering and AI Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This talk will describe the Autonomous Formulation Laboratory, a project based at NIST that is capable of autonomously mixing liquids in arbitrary, n-dimensional composition space and characterizing the resulting formulation using x-ray and neutron scattering in combination with spectroscopy, rheology, and other measurments. |
Peter Beaucage; |
| 170 | Tsuchinoko: A GUI for Autonomous Experiments Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This project aims to deliver the power of adaptive experimental engines (i.e. gpCAM) to general synchrotron users with visualizations that facilitate exploration and exposition of autonomous experimental data/procedures. |
Ronald Pandolfi; |
| 171 | Invited: Glass Transition of Polymers Under Ultrafine Nanoconfinement: Interfacial Dynamics and The Spatial Gradients Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this contribution, we prepare ultrathin polymer films of ~10 nm in thickness and perform systematic dynamics measurements through broadband dielectric spectroscopy. |
Shiwang Cheng ; David Kogut ; Shalin Patil; |
| 172 | Acoustic Wave Propagation As A Long-Range Mechanism for Interactions in Glasses: Experimental Evidence from Studies on Glassy-Rubbery Polymer Bilayers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: More recently, we have investigated shear wave propagation in glassy polystyrene (PS) and rubbery poly(butadiene) (PB) bilayers using a quartz crystal microbalance (QCM), finding that a broad gradient in modulus G(z) emerges upon formation of the ~5 nm PS/PB compositional interface, consistent with the broad Tg(z) profile in this system. We propose that how interfaces impact the propagation of acoustic waves across the system, reflecting or transmitting at interfaces, may be key to understanding this behavior and other long-range effects in glasses. |
Connie Roth ; Alexander Couturier ; Yannic Gagnon ; Justin Burton; |
| 173 | How Does The Length of End-grafted Polystyrene Chains Alter The Spatial Gradient in Local Glass Transition Temperature Tg(z) Near Silica Interfaces? Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: A first-principles understanding of how grafted chains alter material properties in polymer nanocomposites is not yet solidified due to the experimental difficulty of spatially resolving changes to material properties, especially within composite materials. We address this by assembling multilayer samples that enable using a localized fluorescence method to spatially resolve the local glass transition temperature Tg(z) at different positions z from the substrate interface. |
James Merrill ; Connie Roth; |
| 174 | Correlation Between Fragility and Surface Tg of Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In nanoscale films, polymer glasses with higher fragility experience larger reductions in their T g compared to those with lower fragility. We investigated whether this is due to the free surface of the polymers, which can cause the surface T g ( T g surf) to decrease relative to the bulk T g. By measuring the T g surf of various polymers, we found that the shift in T g surf relative to the bulk T g increased with fragility. |
Ophelia Tsui ; Zongyi Ma ; Haoran Nie ; Jinsong Yan; |
| 175 | Using Rheological and Dielectric Spectroscopy Measurements of Time-Temperature Superposition Breakdown to Validate Heterogeneous Rouse Model Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Recently, our group introduced the Heterogeneous Rouse Model (HRM) to explain TTS breakdown. |
Peijing Yue ; David Simmons; |
| 176 | A Random Walk Description of Mobility in Glasses Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we investigate if a single particle model of molecular motion can capture at least some characteristic features of the glass forming systems. |
Grigori Medvedev; |
| 177 | Evidence for Two Mechanisms Driving Molecular Weight Dependence of The Glass Transition Temperature in Linear Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Several studies in the past decade have shown that the 70-year-old functional forms used to describe this trend are at best first-order approximations and do not apply to all polymers across the full domain of M (spanning from the monomer to the infinite linear chain). This work analyzes monomer-resolution dynamics of a diverse trio of polymers from molecular dynamics which adds to this growing body of evidence that Fox-Flory-like arguments of chain end effects are not the leading cause of the decrease of Tg with smaller M. To the contrary, we see that chain end effects are negligible in a fully-flexible polymer, and chain end effects present in stiff polymers surprisingly become weaker on cooling towards Tg. |
William Drayer ; David Simmons; |
| 178 | Combined Modeling of The Volume, Dielectric, and Stress Relaxation and Fatigue Behavior in Glassy Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We combine our recently developed two-state amorphous material model, “SL-TS2” 1 with simple linear elasticity describing the affine bulk and shear deformations. |
Valeriy Ginzburg ; Alessio Zaccone ; Oleg Gendelman; |
| 179 | Local Structural Effects on Thermodynamic Properties and Dynamic Response Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk I will outline our recent progress in linking dynamic response of glassy materials to their thermodynamic properties which, in turn, link to local molecular structure. |
Jane Lipson ; Ronald White; |
| 180 | Segmental (α-) and Slow (SAP) Relaxation Processes: Connections with Thermodynamic Properties and Physical Aging Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk we will present results revealing thermodynamic connections to the SAP. |
Ronald White ; Jane Lipson; |
| 181 | Spatial Variations in Dynamic Heterogeneity in Polymer Thin Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: At the same time, bulk glass-forming liquids such as polymers exhibit a substantial degree of spatial dynamic heterogeneity in the form of a distribution of local relaxation times, albeit without the degree of static spatial organization inherent to interfacial gradients in dynamics. Here, we describe results of molecular dynamics simulations probing the interplay of these effects. |
David Simmons ; Austin Hartley ; William Drayer ; Asieh Ghanekarade; |
| 182 | The Role of Redox Doping in Organic Electronics and Opto-electronics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we will report on recent developments pertaining to n-dopants that could impact the charge injection/collection processes in organic light emitting diodes, organic field effect transistors, and organic photovoltaic and hybrid organic/inorganic perovskite devices. |
Seth Marder; |
| 183 | Connecting Optical Absorption to Doping in Conjugated Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We model the DOS based on Arkhipov’s model where doping induces a heavy exponential tail in the DOS. |
Muhamed Duhandzic ; Michael Lu Diaz ; Subhayan Samanta ; Dhandapani Venkataraman ; Zlatan Aksamija; |
| 184 | Improving Blue Organic Light Emitting Diode Efficiency and Reliability Using Purcell Effect-enhanced Tandem Emitters Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we use optical design to integrate a tandem blue OLED structure into a Purcell effect-enhanced cavity structure. |
Claire Arneson ; Haonan Zhao ; Stephen Forrest; |
| 185 | Investigating The Structure-packing-mobility Relationship of Pure Hydrocarbon Host Materials in OLEDs Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Hence, we aim to reveal the complicated SPMR of SBF derivatives. |
Kun-Han Lin ; Yao-Yu Lee; |
| 186 | Tight-binding Approach Describes Polaron Transport in Organic Semiconductors Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Recently, we have shown that tight-binding models can predict the frontier orbitals and describe the energetics and structure of excitons on π-conjugated semiconductors. |
Vishal Jindal ; Michael Janik ; Scott Milner; |
| 187 | Engineering Strong Exciton-Photon Coupling Via Molecular Orientation in Organic Microcavities Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This study focuses on tuning the exciton-photon interaction through intentional control over molecular transition dipole moment (TDM) orientation in the glassy, organic thin film absorber. |
Yicheng Liu ; Russell Holmes; |
| 188 | A Nanoscale View of PM6 and Y6 Bulk and Interfacial Structures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we describe the bulk and interface morphology of PM6:Y6 systems, enabled through virtual site coarse grained molecular dynamics. |
Christine Mahajan ; Enrique Gomez ; Scott Milner; |
| 189 | Exciton Dissociation in Y6-based Nonfullerene Organic Solar Cells: A Nonadiabatic Molecular Dynamics Study Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Based on our simulations, we proposed a five-step charge transfer process in nonfullerene systems, which is consistent with experimental findings. |
BIN LIU ; Ding Pan; |
| 190 | Theory of Purcell Effect Enhancement on The Operational Lifetime of Phosphorescent Organic Light-emitting Devices Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we propose a model to explain the mechanism of Purcell effect enhancements by linking the transient current-voltage and triplet exciton dynamics to the device degradation process. |
Haonan Zhao ; Boning Qu ; Stephen Forrest; |
| 191 | Impact of Doping on Absorbance Tails and Power Conversion Efficiency of Photovoltaics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In our work, we have identified conditions at which doping can increase the PCE. |
Andrew Tolton ; Zlatan Aksamija; |
| 192 | Singlet Fission Dynamics in Organic Compounds Containing Hetero-atom Linkers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Having investigated the sensitive dependence on connectivity in systems in which the linking monomer is itself an acene, we now present many-body calculations on the low-lying electronic states of iSF systems containing linkers characterized by multiple atomic species. |
Moshe Chesler ; Sumitendra Mazumdar; |
| 193 | Engineering of Polymerized Small Molecule Acceptors for All-polymer Solar Cells: Insights from DFT Calculations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we use Density Functional Theory (DFT) to characterize the electronic and conformational properties of two Y6-based PSMAs: PY-2T, based on a bithiophene π-linker, and PY-BTz, based on a dialkoxy-bithiazole linker. |
Diego Sorbelli ; Giulia Galli; |
| 194 | Bicontinuous Microemulsion in Binary Blends of Complimentary Diblock Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: The phase behavior of binary blends of AB diblock copolymers of compositions f and 1-f is examined using field theoretic simulations (FTSs). Highly asymmetric compositions (i.e., … |
James Willis ; Mark Matsen; |
| 195 | Complex Solutions of Self-Consistent Field Theory Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we demonstrate that for each real saddle-point solution, there may exist an infinite number of complex solutions sharing the same free energy, and thus the concept of "saddle-point" in the functional space can be generalized as "saddle-line" in the complex world. |
Jaeup Kim ; Wonjun Kang ; Daeseong Yong; |
| 196 | Preserving Positivity: Developments in Density-Explicit Field-Theoretic Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: For this purpose, we utilize positivity-preserving schemes that allow for the first stable and efficient FTS simulations of the DE-AF theory. |
Timothy Quah ; Kevin Shen ; Kris Delaney ; Glenn Fredrickson; |
| 197 | Bridging Particle and Field-Theoretic Simulations of Polymers with Deep Learning Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I will describe how we have integrated CNNs, particle-based simulations, and field-theoretic simulations to extend the range of materials that can be modeled with SCFT. |
Dongqi Zhao ; Robert Riggleman; |
| 198 | Molecular Dynamics Simulation of The Self-Assembly of Rigid Sphere-Rod Amphiphilic Marcomolecules Into Onion-Like Assemblies Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using all-atom molecular dynamics simulations, we investigated the initial stages of the self-assembly process of amphiphilic molecules which will be the focus of this presentation. |
Farzad Toiserkani ; Yifan Zhou ; Tianbo Liu ; Mesfin Tsige; |
| 199 | Coil-helix Block Copolymers Can Exhibit Divergent Thermodynamics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Specifically, we aimed to understand (1) the relationship between the helical conformation and entropy, and (2) the effect of the conformation on the Flory–Huggins interaction parameter, χ, when chemical disparity was introduced. |
Michael Grant ; Brennan Fingler ; Natalie Buchanan ; Poornima Padmanabhan; |
| 200 | Chemical Potential of A Flexible Polymer Liquid in A Coarse-grained Representation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Computationally, the excess chemical potential is calculated using the Widom insertion method, which involves monitoring the change in internal energy as one incrementally introduces individual molecules into the liquid. |
James Donley ; Mohammadhasan Dinpajooh ; Jonathan Millis ; Marina Guenza; |
| 201 | MolSets: Molecular Graph Deep Sets Model for Mixture Property Modeling Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we propose MolSets, a specialized ML model for molecular mixtures. |
Hengrui Zhang ; James Rondinelli ; Wei Chen; |
| 202 | Quantifying Similarity Between Polymer Ensembles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using inspiration from the informatics community, we adopt the Earth Mover’s Distance (EMD) along with explicit calculation of distances between all constituents. |
Debra Audus ; Jiale Shi ; Dylan Walsh ; Weizhong Zou ; Nathan Rebello ; Michael Deagen ; Katharina Fransen ; Xian Gao ; Bradley Olsen; |
| 203 | Identifying Promising Anions for Superionic Single-ion Conducting Polymer Electrolytes Using Data-science Approaches Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We seek to use data-science approaches to provide insights into ion transport and expedite the design of superionic single ion conductors. |
Qinyu Zhu ; Catalin Gainaru ; Kenneth Schweizer ; Alexei Sokolov ; Yifan Liu ; Valentino Cooper ; Rajeev Kumar; |
| 204 | Predicting Nanoparticle Dispersion State in Polymer Films Via Machine Learning Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In order to pin down which physical parameters are most important in predicting the nanoparticle dispersion in polymer films, we construct a machine learning model to predict the dispersion state of polymer nanocomposites which are produced via drop casting. |
Willliam Marshall ; Sanat Kumar; |
| 205 | Nucleation Patterns of Polymer Crystals Analyzed By Machine Learning Models Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We employ machine learning (ML) algorithms to analyze conformation patterns during nucleation of early crystallites in undercooled melts based on molecular dynamics simulation data. |
Atmika Bhardwaj ; Jens-Uwe Sommer ; Marco Werner; |
| 206 | Improving Interparticle Contacts Via Photothermal Heating of The Particle Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Ideally, particle-matrix interactions would be initially strong and then altered to favor particle-particle contact and expel inter-particle material after solidification. We present results utilizing photothermal heating of multiwalled carbon nanotubes (CNT) to explore this paradigm. |
Laura Clarke ; Erin Crites ; Nora Hicks ; Jason Bochinski; |
| 207 | Strengthening Polymers with Gas-Phase-Synthesized Graphene Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This presentation will advance our understanding of structure-property relationships in filled polymer materials containing graphene, as well as demonstrate a potential avenue towards the sustainable manufacturing of GNCs. |
Albert Dato; |
| 208 | Effect of End-Functionalization of Chain Additives on The Microdynamics of Rubber Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present the microdynamics seen by XPCS for nanocomposites in which lower molecular weight rubber chains are incorporated as polymeric additives. |
Mark Foster ; Hakan Aras ; Dillon Presto ; Suresh Narayanan ; Sergio Moctezuma ; Mark Sutton; |
| 209 | Microstructural Origin of Non-monotonic Piezoresistivity in CNT/epoxy Nanocomposite Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we establish the relationships between curing temperature, microstructure, and the piezoresistivity in CNT/epoxy nanocomposite through a combination of physical experiments and numerical simulations. |
Fangxin Zou ; Ting-yui Wong ; Tao Yu; |
| 210 | Molecular Design of A Filler-polymer Interface in Silica-filled Rubbers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using simplified SiO 2-filled polybutadiene in conjunction with neutron scattering/spectroscopy techniques, we reveal the structures and dynamics of bound rubber on the SiO 2 surface. |
Tad Koga ; Zhixing Huang ; Yashasvi Bajaj ; Xiaoran Wang ; Maya Endoh ; Tomomi Masui ; Hiroyuki Kishimoto ; Michihiro Nagao ; Naresh Osti ; Bela Farago ; Margarita Kruteva ; Jürgen Allgaier ; Dieter Richter; |
| 211 | Modeling The Response of Soft Microgels to Crowding By Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We extend the mean-field Flory-Rehner theory of polymer networks to incorporate, as an implicit species, hard nanoparticles that perturb the polymer network through volume exclusion. |
Mahesh Aryal ; Alan Denton; |
| 212 | Investigating The Impact of Nanoscale Structures on Thermoelectric Transport in Polymer-nanoparticle Composites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Although theoretical and experimental results of some conducting polymer-nanoparticle composites have identified the importance of the physicochemical properties of the interface, models of electronic transport in these materials often neglect interfacial effects by using an effective-medium approximation to treat the interpenetrating material as combinations of individual parallel and series phases. We are improving these approximations by connecting the nanoscale structures of a model PEDOT:PSS and Au nanoparticle composite with macroscopic transport measurements of its electrical conductivity and Seebeck coefficient. |
Nelson Coates ; Jennifer Heath ; Paige Hall ; Khouloud Aldura ; Pratik Oli ; Eli Robinson ; Raychel Brown; |
| 213 | Self-Limiting Electrospray Deposition of Nanoparticle Composites Via Sub-Percolation Assembly Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The goal of this work was to maximally deliver nanoparticles in the controlled SL regime. |
Jouan Yu ; Michael Grzenda ; Kelly Hughes ; Maria Atzampou ; Rachel Vladimirsky ; Christopher Shuck ; Yury Gogotsi ; Jeffrey Zahn ; Jonathan Singer; |
| 214 | Designing High-Performance Cellulose-Nanofiber Thermoplastic Polymer Composites Through Multi-Scale MD Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We computed CNF-polymer interaction energies and radial distribution functions using atomistic models to understand the molecular interactions between various groups in CNFs and the polymer chains. |
Shalini Jayaraman Rukmani ; Vaidyanathan Sethuraman ; Monojoy Goswami ; Soydan Ozcan ; Jeremy Smith; |
| 215 | Hydrodynamic Flows and Interactions in Unentangled Polymer Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we utilize scaling theory and simulations to study the flow propagated by particles in unentangled polymer nanocomposites. |
Christian Aponte-Rivera ; Andrew Wijesekera ; Ting Ge; |
| 216 | AFM Nanomechanics for Polymer Physics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Atomic force microscope (AFM)-based nano-mechanics [1] is a powerful tool to investigate a wide variety of topics in polymer science and technology, which gives maps of Young’s mod-ulus, adhesion etc. at nano-scale resolution. In this presentation, some selected topics will be reviewed, which include: Heterogeneous stress formation of filled rubber materials upon mechanical stimuli [2]; Visualization of dynamic stress network formed in block-copolymer based thermoplastic elastomers [3]; Sub-surface information detected by AFM nanomechanics and its validation with transmission electron tomography (TEMT) [4]; State-of-the-art techniques such as nano-scale viscoelastic measurement based on AFM [5]. |
Ken Nakajima; |
| 217 | Entangled Polymer Dynamics Through The Lens of Density Self-correlation Function Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: The real-space signature of entangled polymer dynamics is characterized via the density self-correlation function G s(r,t). Using coarse-grained molecular dynamics simulations, it … |
Yangyang Wang ; Zhiqiang Shen ; Jan-Michael Carrillo ; Bobby Sumpter; |
| 218 | Observation of The Interfacial Layer Designed to Improve Polymer Adhesion Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Polymer adhesion with inorganic materials is a crucial technology for realizing the diversification of materials. When a polymer contacts with inorganic materials, a layer … |
Daisuke Kawaguchi ; Reika Nakayama ; Hiroki Koga ; Masayasu Totani ; Keiji Tanaka; |
| 219 | Visualization of Polymer Conformations Under Mechanical Deformation Using Super-resolution Optical Microscopy Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In our study, we used spherical indentation as a method to exert external force, and we applied SROM to directly visualize the behavior of bottlebrush poly(n-butyl acrylate) chains in a thin film under the indentation. |
Ruiqi Xiao ; Jonathan Chan ; Jie Chen ; Qifeng Wang ; Wei Chen ; Kenneth Shull ; Muzhou Wang; |
| 220 | Atomic-level Determination of Polymer Chain Structures By Electron Microscopy Combined with Molecular Simulation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In the present study, we visualized the atomic-level steric structures of single polymer chains labeled with heavy atoms using ADF-STEM imaging and molecular mechanics simulations. |
Tomohiro Miyata ; Yoshiaki Kawagoe ; Raita Goseki ; Tomonaga Okabe ; Takashi Ishizone ; Hiroshi Jinnai; |
| 221 | Chain Movements at The Topmost Surface of Polymer Films at High Temperature or Under Water Directly Evaluated By In-situ Real-time AFM in The Tapping Mode Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: (I) We observed the surfaces of PS and PMMA bulk films in situ at high temperature by AFM in the tapping mode and found that the chain movements at the topmost surfaces can be observed [1]. |
Jiro Kumaki ; Kouki Koike ; Yuto Kashiwaya; |
| 222 | Adsorption of Polymer Chains Onto A Solid Surface During Spin Coating Process Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we extended our investigation beyond the previously explored adsorption process that occurs without the application of external forces. |
Yuma Morimitsu ; Hisao Matsuno ; Keiji Tanaka; |
| 223 | Surface Properties of Pendant-functionalized Polyester Thin Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This research addresses the pressing demand for multifunctional, degradable biomaterials, with potential implications for advancements in tissue engineering and related disciplines. |
Javad Tamnanloo ; Abraham Joy ; Mesfin Tsige; |
| 224 | Morphology Manipulation in Block Copolymer Films By Reversible Metal Infiltration Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We show that the self-assembled structures of polystyrene- b-poly(2-vinylpyridine) (PS- b-P2VP) BCPs can be locked by infiltrating [PtCl 4] 2− from a HCl solution. |
Mingchao Ma ; Runze Liu ; Tingyu Su ; Zehao Sun ; Caroline Ross; |
| 225 | Prize Talk: Polymer Physics PrizeOrigin of The Entropic Driving Force in Polyelectrolyte Complex Coacervation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we show that a large portion of the entropy change is due to solvent (water) reorganization, which we can extract by exploiting the temperature dependence of the dielectric constant. |
Zhen-Gang Wang; |
| 226 | Invited Talk: Frank Bates Structure and Dynamics of Tetrahedrally Coordinated Block Copolymer Particles Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Since the discovery of the Frank-Kasper (FK) sigma phase in block polymers in 2010 there have been numerous experimental and theoretical reports of various tetrahedral … |
Frank Bates; |
| 227 | From Polymers to Bosons: Can AMO Physics Benefit from Polymer Field Theory? Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Feynman’s work on path integral descriptions of helium-4 revealed a deep connection between the statistical mechanics of Bose superfluids and classical ensembles of reacting ring polymers. |
Glenn Fredrickson; |
| 228 | Decoupling The Effects of Charge Density and Hydrophobicity on The Phase Behavior and Viscoelasticity of Complex Coacervates Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: To understand the influence of copolymer chemistry, we developed a library of oppositely-charged methacrylate copolymers of varying charge density and hydrophobicity, with which we studied the coacervate phase behavior and viscoelasticity as a function of salt concentration. |
Sarah Perry ; Isaac Ramírez Marrero ; Luke Boudreau ; Rupert Konradi ; Bernhard von Vacano ; Nadine Kaiser; |
| 229 | Solvation Time Scales in Polymer Electrolytes for Lithium Batteries Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We obtained a value of about 1 nanosecond. |
Nitash Balsara; |
| 230 | Polymer As Structure Director in The Self-Assembly of Block Copolymer Colloids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We investigated the close-packed structures of strongly segregated block copolymer micellar colloids in water and observed that the close-packed structures gradually change from FCC to HCP through a stable RHCP state as the number density of micellar colloids increases. |
Juhong Ahn ; Liwen Chen ; Patrick Underhill ; Guillaume Freychet ; Mikhail Zhernenkov ; Sangwoo Lee; |
| 231 | Leveraging The Co(non)solvency Effect of Dimethyl Sulfoxide and Water to Fine-tune Hydrogel Network Structures for Enhanced Transport and Mechanical Properties Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Given its biocompatibility, biodegradability, and economic appeal, lignin is a favorable choice for use in the fabrication of “green” soft bio-composites. In this study, the impact of cononsolvent concentration (in this case, dimethyl sulfoxide (DMSO) and water) on the network structure, and thus, material properties of poly(vinyl alcohol) (PVA) and lignin soft composites was investigated. |
Keturah Bethel ; Eric Davis ; Jaden Stutts ; Elsa Saines; |
| 232 | Generative Block Polymer Phase Discovery Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Self-consistent field theory (SCFT) can accurately predict known phases but suffers from a fundamental problem for phase discovery: how can one perform the calculations without knowing the structure in advance? |
Pengyu Chen ; Kevin Dorfman; |
| 233 | How Does Gelation Impact The Mechanical Properties of Polymer Networks? Insights from Polymer Mechanochemistry Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I will discuss the use of chain transfer agents and catalysts as a tool to control the concentration of chain ends during gelation, the percolation threshold, the static heterogeneities, and the small- and large-strain mechanical properties of polymer networks. |
Aaliyah Dookhith ; Gabriel Sanoja; |
| 234 | Positional Charge Correlations in Symmetrically and Asymmetrically Charged Polyelectrolyte Complexes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we present small-angle neutron scattering profiles where the polycation scattering length density is matched to that of the solvent to extract positional correlations among anionic monomers. |
Yan Fang ; Artem Rumyantsev ; Angelika Neitzel ; Heyi Liang ; Juan De Pablo ; Matthew Tirrell; |
| 235 | Effects of Chain Length Asymmetry and Salt Ion Valency on Polyelectrolyte Complexation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In contrast, in areas where PEs are employed (biological systems, wastewater treatment), little to no control can be exercised over conditions under which complexation occurs, thus limiting the translation of our understanding of PECs into pragmatic settings. Addressing this gap, the presentation will discuss the effect of salt-ion valency and PE length asymmetry on the composition and viscoelastic behavior of PECs. |
Divya Iyer ; Holly Senebandith ; Lucas Willey ; Rong Feung Peter Goh ; Vanessa Huaco ; Samanvaya Srivastava; |
| 236 | Extreme Suppression of Dynamics in Highly Concentrated Polyelectrolyte Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We use single particle tracking (SPT) to directly observe the diffusivity of individual polyelectrolyte chains and to measure the overall system viscosity in concentrated solutions of 30-70 wt%. |
Harrison Landfield ; Nicholas Kalamaris ; Muzhou Wang; |
| 237 | Identifying Mechanisms of Penetrant Diffusion in Highly Crosslinked Polymer Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We seek to understand how highly crosslinked polymer networks near their glass transition temperatures (T g) may affect penetrant motion and hence play a significant role in separation efficiency. |
Tsai-Wei Lin ; Baicheng Mei ; Grant Sheridan ; Junrou Huang ; Christopher Evans ; Kenneth Schweizer ; Charles Sing; |
| 238 | Important Roles of 2-Ethylhexyl Acrylate Comonomers at Interfaces in Nanoconfined and Bulk Styrene-Based Random Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Due to the free-surface effect, the glass transition temperature ( T g) decreases significantly with decreasing film thickness below ~100 nm for polystyrene (PS) films. We show that such effects can be eliminated down to 15 nm thickness for styrene (S) copolymers with low levels of 2-ethylhexyl acrylate (EHA). |
Tong Wang ; Sumeng Hu ; Asghar Peera ; John Reffner ; Wenshiue Young ; Matthew Carter ; Kimy Yeung ; Li Li ; John Torkelson; |
| 239 | Elastic and Ionic Environment Effects on Collagen Fibril Assembly Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have determined the elasticity of collagen type II as a function of the ionic strength, [ I]. |
Kathryn Wilcox ; Grace Kemerer ; Svetlana Morozova; |
| 240 | Electrostatic Origins of Mixed Salt Partitioning Phenomena in Uncharged Poly(ethylene Oxide)-based Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We observe substantial systematic differences between single salt and mixed salt partition coefficients for a variety of salt mixtures. |
Everett Zofchak ; Aubrey Quigley ; Jordyn Yoh ; Kevin Reimund ; Harnoor Sachar ; Scott Milner ; Benny Freeman ; Venkatraghavan Ganesan; |
| 241 | From Fully Stretched to Collapsed: Bottlebrush Polymer Chain Dimensions When Grafted to Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, the presentation will discuss drastic changes in polymer chain dimensions for bottlebrush polymer grafted nanoparticles synthesized via surface-initiated ring-opening metathesis polymerization (SI-ROMP). |
Jensen Sevening ; Robert Hickey ; Michael Hore ; Matthew Swulius ; Hilmar Koerner; |
| 242 | Amplification of Self-Healing in Polymer Hybrid Materials Using Microstructure Engineering Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This contribution explores a new templating approach to realize high-modulus polymer hybrid materials with SH ability. |
Yuqi Zhao ; Hanshu Wu ; Krzysztof Matyjaszewski ; Michael Bockstaller; |
| 243 | Film Thickness Dependence of Morphology Evolution in Polymer-grafted Nanoparticle Composites Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Polymer nanocomposites (PNCs) present enhanced materials functionalities crucial for applications like gas separation membranes and polymer electrolytes. These functionalities are … |
Aria Zhang ; Kohji Ohno ; Russell Composto; |
| 244 | Characterizing Multi-scale Structure and Order in Hyperuniform Polymer Grafted Nanoparticle Assemblies Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We study systems of bimodal spherical systems, and assess the degree of orientational and translational disorder through metrics introduced to characterize hyperuniform structures and jammed particle packings. |
Andrew Gillman ; Lawrence Drummy ; Daniel Long ; Kyoungweon Park ; Anesia Auguste ; Kenya Hazell ; Jonathan Karhoff; |
| 245 | Polyether-grafted Nanoparticle Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Ultimately, we present a facile method to controllably produce polyether brushes on NP surfaces. |
Robert Ferrier ; Shaylynn Crum-Dacon ; Mayson Whipple; |
| 246 | Nanoparticle Assembly in Polymer Nanocomposite Films Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: In a phase separating polymer nanocomposite (PNC), the interplay between thermodynamic and dynamic behavior can be used to control the assembly of polymer grafted nanoparticles. … |
Russell Composto ; Aria Zhang; |
| 247 | Curvature Induced Radial and Lateral Heterogeneity of Grafted Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We hypothesize that the increased local flatness will affect the lateral organization of the grafted polymer to form pseudo-faceted nanoparticles. |
Tiffany Chen ; Ting Xu; |
| 248 | Suppression of Macroscopic Phase Separation in Polystyrene/polymethyl Methacrylate Blends Confined Within The Interstices of Silica Nanoparticle Packings Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we evaluate the effect of confinement and polymer-nanoparticle interactions on the phase morphology of polystyrene (PS) and polymethyl methacrylate (PMMA) confined within the interstitial pores of a dense SiO2 nanoparticle (NP) packing. |
Trevor Devine ; Daeyeon Lee ; Robert Riggleman ; Anastasia Neuman; |
| 249 | Role of Dynamic Crosslinks on The Phase Behaviour and Stability of Polymer Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The work provides important design rules for highly stable and re-processable polymer nanocomposites. |
Sayani Karmakar ; Tarak Patra; |
| 250 | Bead Spring Simulations of Polymer Nanofiller Composites to Study Equilibrium and Stress-Strain Response Properties Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Given the complex, multiscale nature of the problem a range of modeling tools can be insightfully used, including classical molecular dynamics (MD) at the all-atomistic or a coarse-grained level, dissipative particle dynamics, and finite-elements simulations using a constitutive materials model. In this work, we perform Kremer-Grest type bead-spring MD simulations of systems comprising nanofiller particles of effective size several tens of nanometers and explore equilibrium structure, polymer and filler dynamics, and stress-strain response, and attempt to correlate these properties to chain entanglements, polymer-filler interaction, and different states of filler aggregation. |
Supun Mohottalalage ; John Karnes ; Todd Weisgraber ; Andrew Saab ; Amitesh Maiti; |
| 251 | Shear-Driven Assembly of Nanorods in Polymer Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we describe coarse-grained molecular dynamics simulations of thin nanorods in entangled polymer melts under simple shear flow. |
Phillip Taylor ; Ting Ge ; Thomas O’Connor ; Gary Grest; |
| 252 | Molecular Dynamics Study on The Rheology of Polymer-Nanoparticles Mixture: Role of Inter-particle Interactions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The results show that percolated particle morphologies offer a higher mechanical reinforcement than others. To understand this, we perform coarse-grained MD simulations on PNC by varying the polymer-particle interactions. |
Sameer Rajendra Kalghatgi ; Sanat Kumar ; Ethayaraja Mani; |
| 253 | Creating, Characterizing, and Modeling Nanocomposites of Silicone and Barium Titanate Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we present the fabrication, structure, properties, and density functional theory modeling of highly loaded elastomer-matrix nanocomposites containing BTO nanoparticles with diameters ranging from 50 nm to 500 nm. |
Jessica Santosa ; Vanessa Bartling ; Heather Fuentes ; Katrina Nelson ; Avery Pritchard ; Albert Dato ; Renee Van Ginhoven ; Todd Monson; |
| 254 | Optimising The Performance of Biodegradable Polymers: Design of Fillers and Plasticisers to Tune Polymer Crystallization Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We will present simulations and experimental results on how the interaction between fillers and plasticisers influence polymer crystallization [2-5]. |
Karen Johnston ; Katarzyna Majerczak ; Dominic Wadkin-Snaith ; Nisha Middleton ; Paul Mulheran ; Vitor Magueijo ; John Liggat; |
| 255 | The Effect of Incorporation of Cellulose Nanocrystal on Polymer Dynamics and Rheological Properties of Polylactic-acid Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, research on PLA nanocomposites with a focus on their interfacial layer, remains scarce. In this regard, we investigate the IL of PLA composites focusing on its dynamics and its effect on the rheological properties of PLA composites. |
Hyojin Jung ; So Youn Kim; |
| 256 | Modeling Liquid-Solid Phase Transitions in Suspensions of Compressible Microgels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: From extensive Monte Carlo simulations that incorporate novel trial changes in particle size [1], we determined the liquid-solid phase boundary (microgel density vs. crosslink density) by computing free energies, osmotic pressures, and chemical potentials of both liquid and solid phases via thermodynamic integration methods [2]. |
Oreoluwa Alade ; Alan Denton; |
| 257 | Swelling Behavior and Structure of Binary Mixtures of Ionic Microgels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: For binary mixtures of ionic microgels that carry fixed charges on their surfaces, we derive effective electrostatic interactions. |
Alan Denton ; Mohammed Alziyadi; |
| 258 | A Granular Actuator Made of Electrically Conductive Grains Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I will discuss how the conductive coating impacts the mechanical and actuation metrics for individual grains, and how varying particle size can enhance or diminish the electrical conductivity of the particles. |
Medha Goyal ; Amir Nasab ; Sophia Eristoff ; Lina Sanchez-Botero ; Osman Yirmibesoglu ; Rebecca Kramer-Bottiglio; |
| 259 | Thermomechanical Coupling in Monodomain and Polydomain Liquid Crystal Elastomers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This talk will present our recent progress in thermomechanical behaviors of nematic LCEs under both mechanical load and prescribed temperature. |
Ruobing Bai ; Zhengxuan Wei; |
| 260 | Interaction of Amphiphilic Block Copolymers with Abiotic Lipid Membranes and with Cells Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Certain commercial block copolymers in the poloxamer class (e.g., triblocks of poly(ethylene oxide) PEO and poly(propylene oxide) PPO) are known to interact with cell membranes, … |
Timothy Lodge; |
| 261 | Self-growth of Hydrogels Under Constraints Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using the 3D gel lattice spring model (gLSM), we explore the effects of boundary and structural constraints (stiff fibers) on polymer gel morphology during growth. |
Santidan Biswas ; Victor Yashin ; Anna Balazs; |
| 262 | Adaptive Networks: Erosion of Microfluidic Channels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we make a first step towards adaptive microfluidic networks by working with hydrogels (PEG-NB, polyethylene glycol norbornene) that erode in the presence of a flow of chemical. |
Julien Bouvard ; Swarnavo Basu ; Charlott Leu ; Onurcan Bektas ; Joachim Rädler ; Karen Alim ; Gabriel Amselem; |
| 263 | Influence of Stimulus-responsive Swelling on Suspension Properties of Ionic Microgels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we study theoretically the effects of swelling of weakly-crosslinked ionic microgels on bulk properties. |
Mariano Brito ; Gerhard Nägele ; Alan Denton ; Christian Holm; |
| 264 | Ordered Pattern Formation in Electro-responsive Polymer Ionic Liquid Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using modelling and simulation, here we develop an efficient mechanism, based on reaction-diffusion (RD) phenomena, that harnesses uniform electric field to create complex self-induced patterns in polymer ionic liquid (PIL) blends via phase separation. |
Ashima Choudhury ; Pratyush Dayal; |
| 265 | Sequence and Molecular Weight Controlled Phase Behavior of Liquid Crystalline Oligomers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In polymeric liquid crystals (LCs), it is often difficult to deconvolute the effects of the mesogenic core from those of molecular weight (and its dispersity), non-mesogenic dilutions, and topology (such as linker length and branching). To better understand these relationships and target specific LC phase behavior, we employed an iterative exponential growth synthetic strategy to combine two mesogenic cores and prepare monodisperse triazole-linked LC oligomers of precise lengths and sequence. |
Chun Lam Clement Chan ; Emily Ostermann ; Shawn Maguire ; Jake Cedar ; Emily Davidson; |
| 266 | Water Vapor Formation from Hydrogels Via Photothermal Heating of Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present results on changes in vapor formation efficiency in sodium acrylate and N-isopropylamide hybrids, embedded with either melanin (MNP) or gold nanoparticles (GNP). |
Erin Crites ; Jason Bochinski ; Laura Clarke; |
| 267 | Tuning Non-ergodic Aging in Hydrogels Using Environment-dependent Interfacial Chemistry Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Hydrogels are polymeric soft materials that can be engineered to suit a multitude of applications that exploit their tunable mechanochemical properties. Dynamic hydrogels formed … |
Samya Sen ; Anthony Yu ; Changxin Dong ; Andrea D’Aquino ; Eric Appel; |
| 268 | Modelling The Effect of Phase Behaviour on The Deformation in Light-activated Shape Memory Polymer Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we develop a a non-linear viscoelastic constitutive model that captures the effect of interfacial properties and component miscibility on mechanical deformation in LASMP blends under isothermal conditions. |
Surbhi Khewle ; Pratyush Dayal; |
| 269 | Solving The Spatial Distributions of Multicomponent Polymer Thin Films with Resonant Soft X-ray Scattering Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, interpretation of that data is complex and time intensive because it requires solving a non-trivial inverse problem. To address this issue, we have developed a contrast variation approach which deconvolutes the hyperspectral data into partial scattering functions (PSFs), analogous to neutron scattering methods. |
Julia Murphy ; Kristof Toth ; Daniel Sunday ; Eliot Gann ; Dean DeLongchamp; |
| 270 | Quantifying Ion Distribution Profiles in Block Copolymers Via Resonant Soft X-ray Scattering Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, ionic liquid (IL) distributions in PS- b-PMMA were studied using resonant soft X-ray scattering (RSoXS). |
Priyanka Ketkar ; Daniel Sunday ; Eliot Gann ; R. Joseph Kline ; Dean DeLongchamp; |
| 271 | Label-free Characterization of Aqueous Micelle Nanostructures Via Novel Liquid In-situ Resonant Soft X-ray Scattering (RSoXS) Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Their structure and dynamics are critical to their properties and functions but are challenging to measure. Here, we demonstrate a novel technique capable of such measurements based on resonant soft X-ray scattering (RSoXS). |
Devin Grabner ; Phillip Pickett ; Terry McAfee ; Brian Collins ; Charles McCormick; |
| 272 | Depth-dependent Orientation in Thin Films of Bottlebrush Block Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: We synthesized a series of symmetric bottlebrush block copolymers (BBCPs) with deuterated-polystyrene (dPS) as core block and poly(solkeltal acrylate) (PSA) as corona block using … |
Zhan Chen ; Xindi Li ; Mingqiu Hu ; Xuchen Gan ; Yashodha Kahandawaarachchi ; Hong-Gyu Seong ; Todd Emrick ; William Heller ; Javid Rzayev ; Thomas Russell; |
| 273 | Single-Molecule Dynamics of Confined Branched Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we investigate the dynamics of DNA-based branched biopolymers in 1D slit-like confinement. |
Louis Wang ; Danielle Mai; |
| 274 | Nanoparticle Diffusion Coefficients at Liquid Interfaces Measured By SEM Single Particle Tracking Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The in-situ technique spatially resolved both tracer and background particles for a period of ~1-2 minutes, highlighting mechanisms of diffusion, which depended strongly on areal fraction. |
David Hoagland ; Zachary Fink ; Paul Kim ; Satyam Srivastava ; Alexander Ribbe ; Thomas Russell; |
| 275 | Depth-Dependent Local Shear Modulus Profile Attained from Analyzing QCM Data with A New Transfer-Matrix Model Across A Polymer-Polymer Interface Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present a model for analyzing quartz crystal microbalance (QCM) data that enables the determination of a local depth-dependent shear modulus G(z) in polymer films. |
Alexander Couturier ; Justin Burton ; Connie Roth; |
| 276 | Resonant Tender X-ray Scattering of Semiconducting Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work in general highlights how the fields of crystallography and spectroscopy can be combined to provide new insights into the microstructure of weakly ordered soft materials. |
Christopher McNeill; |
| 277 | Polarized Resonant Soft X-ray Scattering for Organic Photovoltaics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using a GPU-accelerated computational framework for the forward simulation of P-RSoXS from real-space representations, I will consider a realistic BHJ “toy” model built from a blend of polymer and small molecule that routinely delivers photovoltaic power conversion efficiencies of >16%. |
Dean DeLongchamp; |
| 278 | Combing DFT Based Optical Models with Resonant X-ray Reflectivity to Measure Orientation at Buried Interfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we consider crystalline thin films of Zinc Phthalocyanine (ZnPc), where we control orientation with deposition parameters. |
Harlan Heilman ; Fred Woodall ; Brian Collins; |
| 279 | In Situ X-ray Tools for Characterising Vacuum Thermally Evaporated Small Molecules for Use in Organic Photovoltaics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work seeks to demonstrate a suite of in situ X-ray techniques for characterising the morphology of OPV made via vacuum thermal evaporation. |
Olivia Gough ; Moritz Riede ; Zhenlong Li ; Gregory Su ; Pascal Kaienburg; |
| 280 | Hybrid Unified Analysis of Hierarchical Scattering Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Construction of hierarchical materials from narrow-distribution structures such as spherical, lamellar, and cylindrical primary particles and micelles/vesicles can be described using a hybrid approach where the primary (and secondary) structural level(s) is (are) described by conventional, structural functions, while the hierarchical assembly at larger scales can be modeled using Unified structural levels linked by a calculation of the primary radius of gyration. |
Greg Beaucage; |
| 281 | Quantitative X‐ray Scattering and Reflectivity Measurements of Polymer Thin Films with 2D Detectors Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We describe a fully open-sourced Python package to process raw X-ray scattering data using a GANESHA SAXSLAB facility, and review in this manuscript the connection of X-ray scattering theories with the open-sourced package. |
Mingqiu Hu ; Xuchen Gan ; Zhan Chen ; Hong‐Gyu Seong ; Todd Emrick ; Thomas Russell; |
| 282 | John H. Dillon Medal (2024): Developing Straightforward Models to Address Complex (Coacervate) Problems in Sequence-Defined Polyelectrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: One intriguing feature of these condensates is their sensitivity to the charged monomer ‘sequence’ of participating disordered proteins. Inspired by the role of sequence in these biophysical systems, we studied an analogous class of polyelectrolyte materials known as complex coacervates, which are aqueous solutions of oppositely-charged macromolecules and salt that exhibit associative phase separation. |
Charles Sing; |
| 283 | Designing Peptide-based Complex Coacervates for Protein and Virus Encapsulation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we design and synthesize various patterned peptides as model polymers to study the role of sequence, hydrophobicity, hydrogen bonding, and encapsulation of model proteins into our coacervates. |
Sarah Perry ; Arvind Sathyavageeswaran ; Pratik Joshi ; Claire Decker ; Xianci Zeng ; Shannon McIntosh ; Caryn Heldt; |
| 284 | Active Magnetically Assembled Colloidal Chains: From Fundamentals to Applications Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Also, due to their assembly properties, suspensions containing such particles can be utilized as smart fluids with magnetic-field-dependent viscosities. Here, we will add another degree of freedom to this system, namely, time varying magnetic fields, and explore the emergent dynamics of such particles and chains in different conditions. |
Alfredo Alexander-Katz; |
| 285 | Salt-Dependent Phase Re-entry of Weak Polyelectrolyte Complexes:from Associative to Segregative Liquid-Liquid Phase Separation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The transition from associative phase separation at low salt concentration, to a single solution, and ultimately to segregative separation at high salt concentration called the Lower Critical Salt Concentration (LCSaC), arises from the interplay between electrostatic interactions and the hydrophobicity of neutral PAA monomers in a high-salt solvent. To explain this transition, we use a theory combining short-range ion pairing and counterion condensation with long-range electrostatics using the random phase approximation (RPA), and with hydrophobic interactions between PAA neutral monomers and water. |
Ronald Larson ; Huiling Li ; Ying Liu ; Fujie Lan ; Mohsen Ghasemi; |
| 286 | Isothermal Phase Separation of Cleavable Elastin-like Polypeptides Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: To expand ELP function, we demonstrate isothermal phase separation upon cleavage of a diblock ELP. |
Brendan Wirtz ; Allison Yun ; Xiaojing Gao ; Danielle Mai; |
| 287 | Predictive Multiscale Modeling of Polymer Formulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: A method is described for de novo prediction of the self-assembly and phase behavior of polymer melt or solution formulations without any experimental input. |
Glenn Fredrickson; |
| 288 | Conformation Statistics of Ideal Ribbon-like Chains Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: By developing and solving the Fokker-Planck equation for the ribbon-like chain (RLC) model, we show that three independent persistence lengths can be identified, corresponding to the relaxation of tantent, normal, and binormal directions of "ribbon-like" monomers. |
Jian Qin ; Wesley Michaels ; Andrew Spakowitz; |
| 289 | AI-Guided Closed-Loop Discovery of Photostable Light-Harvesting Molecules Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I will discuss a closed-loop approach combining automated synthesis, photophysical characterization, and AI-guided prediction methods to identify organic light-harvesting molecules with optimized photostability. |
Charles Schroeder; |
| 290 | Complex Coacervation of Proteins and Protein Mixtures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using techniques from protein engineering, we have designed protein libraries with varying charge and charge distribution to evaluate how these key parameters impact complex coacervation between globular proteins and linear polyelectrolytes. With this basic understanding, we have extended these efforts to more complex mixtures of proteins and polyelectrolytes. |
Allie Obermeyer ; So Yeon Ahn; |
| 291 | Ionic Conductivity in Salt-Doped Polymers: Combined Effects of Temperature and Salt Concentration Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we construct a coarse-grained molecular dynamics model based on LiTFSI doped PEO systems to examine the combined effects of temperature and salt concentration. |
Zhen-Gang Wang ; Alexandros Tsamopoulos; |
| 292 | Imaging The Conformation and Dynamics Single Polymers in Bulk Environments Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: By fitting these images to a wormlike chain model, we are able to accurately and directly measure the persistence length of the backbone for the first time. Subsequent work shows how these conformations are affected by the sample environment, by changing the surrounding matrix from linear to bottlebrush polymers for example. |
Muzhou Wang; |
| 293 | Theory of Ion-mediated Changes of Structural Relaxation and Vitrification in Polymerized Ionic Liquids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We combine PRISM theory of packing correlations with the Elastically Collective Nonlinear Langevin theory of activated hopping (coupled cage and longer range collective elasticity) to explore structural relaxation in dry polymerized ionic liquids (PILs). |
Ken Schweizer ; Ankita Das; |
| 294 | Self-Assembled Water Channels in Fluorine-Free Polymers for Fast Proton Conductivity Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This study explores related polymers with lower sulfonations levels to improve the processability and mechanical properties. |
Karen Winey ; Solmi Oh ; Max Win ; Justin Kennemur ; Amalie Frischknecht; |
| 295 | How Ultrasmall Nanoparticles Influence Polymer Dynamics in Different Length Scales Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This leads to perplexing and inadequately explained variations in the glass transition temperature and terminal flow behavior based on the composition. To investigate the relaxation phenomena that could be responsible for this decoupling, we employed rheometry and dielectric relaxation spectroscopy (DRS) to examine material relaxations occurring near the onset of entanglement. |
Walter Young ; Reika Katsumata; |
| 296 | On The Rheological Properties of Polymer Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we investigate the rheological response of different series of poly(ethylene oxide) / silica, PEO/SiO 2, nanocomposites by oscillatory shear rheology in the linear viscoelastic regime. |
Spiros Anastasiadis ; Thaleia-Michaela Chatzaki ; Sokratis Kogchylakis ; Dimitris Vlassopoulos ; Kiriaki Chrissopoulou; |
| 297 | Polymer-Filler Competition-Driven Reinforcement Beyond The Payne Effect in Elastomeric Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we report on molecular dynamics simulations of a model nanocomposite under extensional deformation. |
Pierre Kawak ; Harshad Bhapkar ; David Simmons; |
| 298 | Effect of Interfacial Energy on Capillary Infiltration of Entangled Polymers Into Nanoporous Gold Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we compare the kinetics of polystyrene (PS) and poly(2-vinylpyridine) (P2VP), which are weakly and moderately attracted to the gold surface respectively, into a nanoporous gold scaffold. |
Weiwei Kong ; Anastasia Neuman ; Daeyeon Lee ; Robert Riggleman ; Russell Composto; |
| 299 | Capillary Rise Infiltration of Copolymers Into Confined Packings Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we present a computational study using molecular dynamics simulations to investigate the impact of polymer-nanoparticle interactions and polymer architecture on capillary rise infiltration kinetics in dense nanoparticle packings. |
Madeline Maurer ; Anastasia Neuman ; Taeyoung Heo ; Daeyeon Lee ; Robert Riggleman; |
| 300 | Nanoparticle Diffusion in Polymer Nanocomposite Melts Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work quantifies the effect of particle loading on NP diffusion in attractive PNC and provides insight into diffusion in crowded PNC systems. |
Kaitlin Wang ; Russell Composto ; Karen Winey; |
| 301 | Uncovering The Structure-dynamics-property Relationship of Reinforced Rubbers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, we aim to establish the structure-dynamics-property relationship of a model rubber under the driving conditions using in operando X-ray Photon Correlation Spectroscopy (XPCS) experiments. |
Xiaoran Wang ; Leonidas Tsapatsaris ; Zhixing Huang ; Elena Stephanie ; Lutz Wiegart ; Tomomi Masui ; Hiroyuki Kishimoto ; Maya Endoh ; Tadanori Koga; |
| 302 | Synthesis and Rheological Properties of Polymer Loop-Grafted Nanoparticle Composites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we demonstrate that composites of loop-grafted particles exhibit gel-like mechanical response. |
yi feng ; Pinar Akcora ; Christopher Mbonu; |
| 303 | Dielectric Properties of Waterborne Polyelectrolyte Grafted Nanoparticles Films Sustainable Energy Storage Media Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we design polyelectrolyte grafted Silica nanoparticle based dielectric polymer grafted nanoparticle (PGNP) films, that can be cast from aqueous solution, as novel energy storage media. |
Hala Farghaly ; Alamgir Karim ; Maninderjeet Singh ; Pinar Akcora ; Ruhao Li; |
| 304 | Phase -behavior and Diffusion in Polymer-grafted Nanoparticle Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: These properties are tunable via control over the composition, morphology, and mobility of the polymer and nanoparticles in the PNC. Polymer-grafted nanoparticles (PGNPs) show a high degree of dispersion in this regard, and we study their phase behavior and diffusion in dissimilar PGNPs thin films. |
Akhtar Gul ; Alamgir Karim; |
| 305 | The Effect of Chain Stiffness on The Dynamics of Polymer/star Polymer Composites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We use molecular simulations to consider a composite (or blend) of a modest fraction of star polymers embedded within a linear polymer matrix. |
Max Hanrahan ; Cesar Castro ; Jinpeng Fan ; Jack Douglas ; Francis Starr; |
| 306 | Capillary Filling Dynamics of Entangled Polymers Under Moderate Confinement Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we present a computational study using molecular dynamics to understand the kinetics of entangled polymers undergoing capillary rise infiltration into nanoporous gold, finding a change in infiltration time scaling to τ infiltration ∝ N 1.4 for weakly interacting entangled polymers. |
Anastasia Neuman ; Weiwei Kong ; Laetitia Moore ; Russell Composto ; Daeyeon Lee ; Robert Riggleman; |
| 307 | Investigating Multi-Component Polymer Grafted Nanoparticles with Bidisperse Polymer Grafts Using Molecular Modelling Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, the behavior of multi-component PGNs is relatively unexplored. To address this knowledge gap, we investigate multi-component PGNs with bi-disperse polymer grafts. |
Subhadeep Pal ; Sinan Keten; |
| 308 | Effect of Alkyl Spacer Length of Photoisomerizable Surfactant on Light-Responsive Shape Transition of Block Copolymer Particles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We introduce a novel class of block copolymer particles that exhibit dynamic and reversible morphological transitions in response to specific light wavelengths. |
Jinwoo Kim ; Kang Hee Ku ; Bumjoon Kim; |
| 309 | Oral: PH-Responsive Swelling of Poly(methacrylic Acid) Multilayer Hydrogels Through Controlling Polyacid Chain Conformations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We showed that for chemically crosslinked PMAA multilayer hydrogels obtained from hydrogen-bonded multilayer templates, the internal hydrogel structure ranges from well-stratified to highly intermixed depending on the LbL assembly method. |
Pavel Nikishau ; Veronika Kozlovskaya ; Olga Khaybullina ; Eugenia Kharlampieva; |
| 310 | Large Caloric Effects in Liquid Crystal-based Materials for New Heat-management Technologies Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: A review of theoretical description and recent direct measurements of the large EC effect in liquid crystals (LCs) and large eC effect in liquid crystal elastomers (LCEs) [1, 2] will be given in this contribution, including the application aspect. |
Brigita Rozic ; Dejvid Cresnar ; Matic Morgan ; Andraz Resetic ; Marta Lavric ; Bostjan Zalar ; Gregor Skacej ; Samo Kralj ; Zdravko Kutnjak; |
| 311 | Predicting Cyclodextrin Assembly on End-functionalized Polyethylene Glycol for Designing Polypseudorotaxane Hydrogels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We apply a multiscale approach to predict the assembly of alpha-cyclodextrin (αCD) on end-functionalized PEG axles. |
Cameron Smith ; Wenlin Zhang; |
| 312 | Protein Interactions That Control Calcium Oxalate Kidney Stone Formation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have focused on the protein (organic) components that bind the crystals together to better understand the process and identify new treatment pathways. |
Jeffrey Wesson ; Matthew Tirrell ; Michael Ward ; Roman Zenka; |
| 313 | Understanding The Genetic Fusion of Thermoresponsive Polypeptides Mediating Hierarchical Nanostructure Assembly of Coiled-Coil Bundlemers Via Molecular Dynamic Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In our studies, we applied molecular dynamics simulation with coarse-grained (CG) models to microscopically investigate the assembly pathways of newly designed RLP coiled-coil bundles conjugates and ELP coiled-coil bundles conjugates with different variations. |
Tianren Zhang ; Sai Patkar ; Yao Tang ; Bin Wang ; Weiran Xie ; Kristi Kiick ; Jeffery Saven ; Darrin Pochan; |
| 314 | Reconfigurable Liquid Droplet Interface Bilayer Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We are proposing a new method to establish well-controlled interconnected channels between the colloidal-decorated droplets with high selectivity, with potential applications for compartmentalized reactions, chemical delivery, and materials science. |
Xuefei Wu ; Thomas Russell; |
| 315 | Gelation Behavior of Reversible Diels–Alder Networks Based on Precursor Design and The Addition of Multifunctional Microspheres Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, the gelation behavior of DA networks was investigated with respect to precursors of various architecture, functionality, and molecular weight using rheometry. |
Gaeun Kim ; Brandon McReynolds ; Samantha Knight ; Sanchari Chowdhury ; John McCoy ; Youngmin Lee; |
| 316 | Oral: Exploring The Role of Conserved Dynamic Covalent Bonds in Modulating Phase Behavior in Block Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This research introduces dynamic bonds into BCP systems, aiming to potentially enhance long-range ordering. |
Yun-Ju Chen ; Yu-Hsuan Tsao ; Christopher Evans ; Charles Sing; |
| 317 | Covalent Adaptable Networks with Rapid UV Response Based on Reversible Thiol-ene Reactions in Silicone Elastomers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: A kinetic model is developed that successfully relates the rates of the underlying reaction mechanisms to changes in the storage modulus. |
Miao Huo ; David Clarke ; Jerry Hu; |
| 318 | Epoxy Adhesive with Dynamic Covalent Bonds As A Fully Removable Adhesive Via Photothermal Effect of Titanium Nitride Plasmonic Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, adhesive strengths of DA epoxy and plasmonic nanoparticle composite samples were studied by lap shear testing. |
Samantha (Lindholm) Knight ; Gaeun Kim ; Nicole Penners ; Sanchari Chowdhury ; John McCoy ; Youngmin Lee; |
| 319 | Decoding Repetitive Proteins to Program Ion-responsive Biopolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We report sequence-dependent folding in the absence and presence of calcium, measured by circular dichroism and small-angle X-ray scattering. |
Danielle Mai; |
| 320 | Responsive Biomimicking Materials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: One such class of materials is hydrogels functionalized with active components such as spiropyran hydrogels with embedded magnetic nanowires which interact with both light and magnetic fields [1]. Our continuum models quantitatively study these interactions and allow us to create controllable soft robots capable of walking and swimming. |
Monica Olvera De La Cruz ; Aaveg Aggarwal ; Yao Xiong; |
| 321 | Chemical Design of Stimuli Responsive Microgels: Recent Developments and Trends Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We demonstrate that the use of “programmable” monomers able to undergo specific non-covalent interactions (electrostatic, hydrophobic or π-π-stacking) in aqueous solutions is a key to bottom-up synthesis of anisotropic microgels with controlled size, shape and chemical structure. |
Andrij Pich; |
| 322 | Emergent Collective Behavior of Platelets in Blood Clotting: Lessons for Designing Active Polymeric Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We developed an experimentally informed mesoscale computational model of fibrin- platelet blood clots to gain insights into the contraction mechanics of clots and to examine the interactions among different clot elements. |
Alexander Alexeev ; Yueyi Sun ; Wilbur Lam; |
| 323 | Amphiphilic Polymer Conetworks: Experiment and Theory Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Amphiphilic polymer conetworks (APCN) [1] comprise covalently cross-linked hydrophilic and hydrophobic segments, and are consequently capable of microphase separating upon … |
Costas Patrickios ; Demetris Apostolides ; Michael Gradzielski ; Dimitrios Tsalikis ; Hilal Reda ; Vagelis Harmandaris; |
| 324 | Emergent Mechanics of Dynamic Polymer Network: Viscoelasticity, Damage, and Remodeling Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: With these opportunities come challenges, related to a steep increase in the design space, but also is our ability to understand how these spatio-temporal network give rise to more and more complex macroscopic response. The presentation will tackle this challenge by providing an overview of the inner workings of these networks together with ways to characterize their response using concepts in statistical mechanics and the dynamics of complex systems. |
Franck Vernerey; |
| 325 | Reflections on Enabling Early Career Polymer Physicists and Session Motivation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This session is dedicated to highlighting how the support for early-career researchers has enabled their initial success and helped launch impressive careers that have shaped the current state of polymer physics and, in turn, DPOLY. In this talk, we will provide an overview of this support landscape and set the stage for the distinguished researchers who will provide the technical talks of the session with a specific focus on the support and mentorship that has enabled early career development. |
Bryan Boudouris; |
| 326 | Macromolecular Engineering of Sustainable Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, we will describe the use of macromolecular engineering approaches to tackling one of the field’s fundamental challenges—chain entanglements—by devising various architectures, such as ultra-high molecular weight polymers, pentablock architectures, supramolecular entanglement, and dynamic crosslinking. |
Chuanbing Tang; |
| 327 | Hierarchial Polymeric Materials Inspired By Nature Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this context, I will highlight a few examples of how natural systems inspired the design of shape memory materials, injectable gels, and water-responsive composites utilizing principles, such as hierarchy, interfaces, orientation, and dynamics. Collectively, these vignettes offer a framework that provides insight of the interplay macromolecular design, molecular engineering, and robust manufacturing. |
LaShanda Korley; |
| 328 | Journey in Polymer Physics with The NSF Polymers Program Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We will then present the formation of random copolymers with tuned chemical composition and co-monomer sequences by brominating polystyrenes in solvents with selected solubility. We will describe the formation of “random” and “random-blocky” copolymers and study the kinetics of the formation of such copolymers, their adsorption on surfaces, and the stability of films made of such structures. |
Jan Genzer; |
| 329 | Polymerizations with Particles at Fluid-Fluid Interfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This presentation will highlight the use of 2D particles as surfactants to produce: (i) Janus particles by grafting from polymerization on one face of the nanosheets, (ii) nanosheet-armored polymer particles by polymerization of the droplets, (iii) porous foams coated with nanosheets by polymerization of the continuous phase, and (iv) capsules by interfacial polymerization. |
Emily Pentzer; |
| 330 | Symmetry Breaking and Polymer Self-Assembly in The Presence of Liquid Crystals Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We explore the self-assembly and directed self-assembly of liquid crystalline (LC) BCPs, block co-oligomers and BCP-analogous macromolecules containing mesogens. |
Chinedum Osuji; |
| 331 | Understanding Penetrant Transport in Dense, Dynamic Polymer Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, dense polymer networks crosslinked by dynamic covalent bonds where the mesh size can approach 1 nm are investigated with a range of fluorescent dyes up to 2.8 nm in length. |
Christopher Evans ; Junrou Huang ; Grant Sheridan ; Nabil Ramlawi ; Randy Ewoldt; |
| 332 | Responsive Polymer Network Interfaces: From Mechanical Surface Instabilities to Ionic Heterojunctions Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Stimuli-responsive polymer networks offer potential for materials with a wide variety of tunable surface properties including optical characteristics, electronic properties, … |
Ryan Hayward; |
| 333 | Measurement of Real Contact Area and Its Consequences on Adhesion and Friction Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we present the use of surface-sensitive infrared-visible sum frequency generation spectroscopy (SFG) to study the shift in OH frequency to probe the real contact area between two solid surfaces. |
Ali Dhinojwala; |
| 334 | Polyelectrolyte Multilayers and Complexes: Glass Transitions and Dynamics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This talk will compare the glass transition behavior of multilayers and complexes that contain strong and weak polyelectrolytes, different salt types and concentrations, and different amounts of water. |
Jodie Lutkenhaus; |
| 335 | Controlling Polymer Assembly with Precise Design Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We combine experimental and molecular dynamics simulation techniques to understand how the monomer sequence of polypeptoids impacts polymer chain shape and assembly. |
Rachel Segalman ; Scott Shell ; Songi Han ; Shawn Mengel ; Audra DeStefano ; Sally Jiao; |
| 336 | Nanoporous Materials from Ordered and Disordered Block Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation I will present our work over the past two decades on the design and development of block polymers that contain an etchable component for the generation of nanoporous materials from block polymer precursors. |
Marc Hillmyer; |
| 337 | Quantifying The Effects of Local Structure and Dynamics on Ion Transport in Polymer Electrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present a framework to account for the effects of polymer architecture, segmental mixing, chain stretching, and confinement on the dynamics of poly( oligo-oxyethylene methacrylate) (POEM)-based electrolytes, and we validate this framework through techniques such as nuclear magnetic resonance spectroscopy measurements on solid‑state electrolyte samples. |
Thomas Epps; |
| 338 | Impact of Ion Mobility on The CO2 Solubility in Ionic Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In our study, we have conducted both experimental investigation and molecular modeling to explore the role of ion mobility in the polymers containing imidazolium-bistriflimide (TFSI) ion pair on the CO 2 solubility and diffusivity. |
Santanu Roy ; Vera Bocharova ; Dengpan Dong ; Vyacheslav Bryantsev ; Shannon Mahurin ; Joshua Damron ; Seung Pyo Jeong; |
| 339 | The Influence of Polynorbornene Backbone Structure on Ion Clustering, Water Uptake, and Ion Transport Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we designed and synthesized polymers based on bromine-containing polynorbornene (PNB) with similar ion exchange capacity (IEC), molecular weight, and an identical spacer length. |
Mincheol Kim ; Zhongyang Wang ; Mrinmay Mandal ; Ruilin Dong ; Kai Wang ; Paul Kohl ; Shrayesh Patel ; Paul Nealey; |
| 340 | Ion Transport in Weak Polyelectrolyte Membranes at Varying External PH Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we designed a systematic library of weak polyelectrolyte membranes based on polyacrylic acid (PAA). |
Yongha Kim ; Ralph Colby ; Hee Jeung Oh; |
| 341 | Interplay of Backbone Rigidity and Water Content on Ion/ion Selectivity in Hydrated Polymer Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Two factors that are known to play important roles in governing membrane performance are equilibrium water content and polymer segmental dynamics. We perform coarse-grained molecular dynamics simulations to examine the interplay between these two factors and the impact on ion/ion selectivity. |
Paul Irving ; Harnoor Sachar ; Nico Marioni ; Everett Zofchak ; Zidan Zhang ; Benny Freeman ; Venkatraghavan Ganesan; |
| 342 | Electrostatic Funneling in Ionic Transport Through Solid Porous Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we revise the classical understanding of ICP in light of a concept termed "Electrostatic Funneling" (EF). |
Joan Montes de Oca ; Johnson Dhanasekaran ; Juan De Pablo; |
| 343 | Impact of PEGMA As A Blocking Group in Ion Exchnage Membranes for CO2 Reduction Product Crossover: Electrochemical Cell Applications Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Previously, to suppress CO 2 reduction product crossover we introduced a series of uncharged comonomers, acrylic acid (AA, n=0, where n is the number of PEG repeat units), hydroxyethyl methacrylate (HEMA, n=1), and poly(ethylene glycol) methacrylate (PEGMA, n=5), where we observed the crossover of carboxylates were significantly suppressed in PEGMA-containing films in co-diffusion. |
Antara Mazumder ; Bryan Beckingham; |
| 344 | Ionic Drug Transport in Charged Biosponge Polymers to Capture Toxic Chemotherapy Drugs Before They Spread Through The Body 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 multifunctional biosponge polymers. |
Hee Jeung Oh; |
| 345 | Mixed Binary Alkali Halide Salt Transport in PEO Systems Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we use a model cross-linked poly(ethylene glycol) diacrylate membrane to examine how permeability coefficients of binary alkali halide salt mixtures vary as a function of external salt mole fraction. |
Aubrey Quigley ; Everett Zofchak ; Nathaniel Lynd ; Benny Freeman; |
| 346 | A Diafiltration Apparatus for High-Throughput Characterization of Transport Through Polymer Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, a diafiltration apparatus is developed to rapidly characterizing membrane performance over a broad range of feed solution compositions. |
Jonathan Ouimet ; Laurianne Lair ; Xinhong Liu ; Alexander Dowling ; William Phillip; |
| 347 | Evidence for Pressure-induced Diffusion of Solvent in Dense Polymer Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Knowledge of the nature of solvent transport through polymers is crucial for developing future membranes for novel separations. It has been debated whether pressure-driven … |
Kevin Reimund ; Rahul Sujanani ; Jorge Hernandez ; Paul Irving ; Kristofer Gleason ; Manish Kumar ; Benny Freeman; |
| 348 | Super-resolution Imaging Reveals Resistance to Mass Transfer in Functionalized Stationary Phases Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We perform super-resolution imaging of fluorescent analytes in four different commercial liquid chromatography materials. |
Ricardo Monge Neria ; Lydia Kisley ; Muhammad Zeeshan ; Aman Kapoor ; Burcu Gurkan ; Christine Duval ; Rachel Saylor; |
| 349 | Selective Ionic Transport in Zwitterion-functionalized Nanopores Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We investigate ionic transport in zwitterion-functionalized nanopores to illuminate the physics underlying selective salt transport in random zwitterionic amphiphilic copolymer (r-ZAC) membranes. |
Harnoor Sachar ; Everett Zofchak ; Nico Marioni ; Zidan Zhang ; Tyler Duncan ; Venkatraghavan Ganesan; |
| 350 | The Effect of Crosslinker Concentration on Drug Release Kinetics of Thermo-Responsive, Lignin-Based Soft Composites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we fabricated soft composites containing: (1) a thermo-responsive polymer, PNIPAm; (2) a hydrophilic polymer, poly(vinyl alcohol) (PVA); and (3) a sustainable biopolymer, lignin. |
Missoury Wolff ; Eric Davis; |
| 351 | Polymer Architecture Induced Trade-off Between Conductivities and Transference Numbers in Salt-doped Polymeric Ionic Liquids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we used atomistic molecular simulations on polymer chemistries inspired by the experiments to probe the mechanistic origins underlying the competition between conductivity and transference numbers. |
Zidan Zhang ; Nico Marioni ; Harnoor Sachar ; Venkatraghavan Ganesan; |
| 352 | Effects of Electrostatic Correlations on Charge Transport in Single-ion Conducting Polymer Electrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we present the results of a coarse-grained molecular dynamics study investigating the effects of local polarization on the inverse Haven ratio and ionic conductivity of single ion conducting polymer electrolytes. |
Colin Gillespie ; Jan-Michael Carrillo ; Robert Riggleman ; Rajeev Kumar; |
| 353 | Oral: Elucidating Nanoparticle Reinforcing Effects Through Low-volume Chemical Coupling As Explored By Coarse-grained Molecular Dynamics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we present an easily scalable approach to elucidate the effect of linker topology and stoichiometry on the segmental dynamics and bulk properties in a covalently bonded CN polymer composite. |
Yawei Gao ; Nihal Kanbargi ; Joshua Damron ; Logan Kearney ; Jan Michael Carrillo ; Jong Keum ; Michael Toomey ; Bobby Sumpter ; Amit Naskar; |
| 354 | Electrophoretic Translocation of Star-shaped Polymers in Single Solid-state Nanopore Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: One of the main challenges lies in the complexity of sample preparation. In this study, we employ multi-armed poly(ethylene glycol) (PEG) to address this challenge in the investigation of electrophoretic translocation behavior of star polymers. |
Kuo Chen ; Murugappan Muthukumar; |
| 355 | Role of The Brush Sizes and Sidechain Architecture on Linear Polymer Bottlebrushes: An Atomistic Simulation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this paper, using all atom molecular dynamics simulations, we studied the structural and hydration properties of Poly (methyl methacrylate) -g- poly(2-ethyl-2-oxazoline) (PMMA-g-PEtOx) BBP, as well as the BBP supported water properties as a function of backbone monomers (N BB) and sidechain monomers (N SC). |
Tanmay Sarkar Akash ; Raashiq Ishraaq ; Siddhartha Das; |
| 356 | Nanoscale Dynamics of Self-assembled Lipid Nanoparticles Via SANS Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We find, using TR-SANS in combination with traditional SANS and small-angle x-ray scattering (SAXS), that as pH drops, internal structure and molecular exchange of cholesterol change. |
Shayna Hilburg ; Lilo Pozzo; |
| 357 | Macromolecular Properties and Interactions of Proteins and Polysaccharides Determine The Rheology of Real and Vegan Food Formulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we select proteins and polysaccharides used in several vegan food foams and emulsions, and characterize their pinching dynamics and extensional rheology using dripping-onto-substrate (DoS) rheometry. |
Karim Al Zahabi ; Lena Hassan ; Ramiro Maldonado ; Vivek Sharma; |
| 358 | Unlocking The Dynamics of A Novel Natural Polymer-Based Material for Multiple Applications Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I will discuss the potential of employing various characterization techniques, such as rheology in combination with neutron reflectivity, quasi-elastic neutron scattering, small-angle neutron scattering, and wide-angle X-ray diffraction, to investigate the dynamics of complex polymer systems at different length scales, both within bulk and interface systems. |
Ngoc Nguyen; |
| 359 | Direct Visualization of Flow-induced Scission of DNA Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we employ fluorescence microscopy to image the breakage of labelled DNA molecules in a microfluidic four-roll mill, which can generate different flow types. |
Clive Onyango ; Xiang Cheng ; Kevin Dorfman; |
| 360 | Behavior of Two Knotted DNA Molecule Under Nanochannel Confinement Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Herein, we use Langevin dynamics simulations to probe the behaviors of two knotted DNA molecules under nanochannel confinement of different channel sizes. |
Runfang Mao ; Kevin Dorfman; |
| 361 | Topology-Driven Dynamics and Randomness Control in Prime Knots Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, the precise link between structure and dynamics has not been well established. To help elucidate this link, we present a detailed analysis of the relation between the dynamics, topology, and complexity (crossing number) of polymer knots, focusing on a subset of closed knots called prime knots. |
Hyo Jung Park ; Anna Lappala; |
| 362 | Computational Study of The Morphology of Benzimidazolium and Imidazolium Anion Exchange Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work we compare the structure and ion dynamics in membranes based on a series of benzimidazolium and imidizolum backbones using techniques such as molecular dynamics simulations and clustering analyses in order to improve our understanding of the differences between candidate membranes. |
Adrian Yeung ; Eric Schibli ; Barbara Frisken; |
| 363 | A Comprehensive Study of Azole Containing Systems with High Proton Conductivity Under Anhydrous Conditions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Thus, in this research, we studied 1,2,3-triazole and imidazole and their blends with phosphonic acid as potential candidates for high-conductivity proton conductors under anhydrous conditions. |
Zitan Huang ; Michael Hickner ; Michelle Lehmann ; Ralph Colby ; Tomonori Saito; |
| 364 | Molecular Dynamics Study on The Dielectric Relaxation of Low Relative Permittivity and Dissipation Factor Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we explore potential polymers for printed circuit board (PCB) substrates for next generation communication devices. |
Hector Allan Pérez-Ramírez ; Luis A Padilla ; Su-Mi Hur; |
| 365 | Enhanced Ion Conduction By Decoupling Ion Transport from Polymer Segmental Relaxation in Single-ion-conducting, Polymer Blend Electrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We connected the ion transport mechanism to the packing efficiency of polymer chains and investigated the decoupled ion transport as a function of PLiMTFSI molecular weight and ion concentration via differential scanning calorimetry, alternating current impedance spectroscopy, and dynamic mechanical analysis. |
Mengying Yang ; Thomas Epps; |
| 366 | Explaining Giant Apparent PKa Shifts in Weak Polyelectrolyte Brushes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Comparing explicit-particle simulations with mean-field calculations we show that for high grafting densities the salt concentration effect can be explained using the ideal Donnan theory, but for low grafting densities the full shift is due to a combination of the Donnan effect and the polyelectrolyte effect. |
David Beyer ; Peter Košovan ; Christian Holm; |
| 367 | Patterning Rigid Microparticles on Soft Adhesives for Control of Interfacial Properties Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we study the adhesive behavior for two different materials systems that have rigid microparticles deposited at the interface of a flexible film and a soft adhesive. |
Naomi Deneke ; Natalie Stingelin ; Blair Brettmann; |
| 368 | The Molecular Origin and Number of Interfacial Interactions Dictate The Adhesion of Bioinspired Adhesives Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Thus, this study illustrates the importance of both strong and weak acid-base interactions in enhancing adhesion. |
Amal Narayanan ; Sukhmanjot Kaur ; Ali Dhinojwala ; Abraham Joy; |
| 369 | Multiscale Molecular Modeling of Polymer-based Additive Manufacturing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present an optimized reactive force field (ReaxFF) for MD simulations of acrylate polymer resins that captures radical polymerization thermodynamics and kinetics. |
Yihan Huang ; John Karnes ; Bradley Harris ; Caitlyn Cook ; Todd Weisgraber ; Maxim Shusteff ; Roland Faller; |
| 370 | Influence of Polymer Structure on E-Beam Lithography: Minimizing Line Edge Roughness with Bottlebrush Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This research comprehensively compares commercial linear polymers and synthesized bottlebrush polymers to discern the structural impact of poly methyl methacrylate resists on electron beam (e-beam) lithography. |
Seungjae Hong ; Chaeeon Kim ; Seungwoo Lee ; Joona Bang; |
| 371 | Achieving High Permittivity Paraelectric Behavior in Liquid Crystalline Mesogen-Free Sulfonylated Comb-shaped Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we introduced mesogen-free comb-shaped LCPs with strongly dipolar sulfonyl groups in side-chains to enhance dipole moment/dipole density and induce ferroelectric switching. |
Jiahao Huang; |
| 372 | Ionoelastomers at Electrified Interfaces: Differential Electric Double Layer Capacitances of Cross-Linked Polymeric Ions and Mobile Counterions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we investigate the differential EDL capacitances of crosslinked polymeric ions and free counterions in IEs. |
heewoon shin; |
| 373 | Investigating The Effect of Sidechains on Self-assembly of Semiconducting Polymer Using A Multiscale Modeling Approach Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we develop a multiscale modeling framework to predict BnDT-FTAZ assembly and investigate the phase behavior under various sidechain architectures. |
Zhihao Feng ; Jinwon Cho ; Junhe Chen ; Omar Allam ; Seung Soon Jang; |
| 374 | Effect of Coating on The Deformation Behavior of Single-crystal Sapphire During Ultra-precision Machining Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we developed a thin film coating model in molecular dynamics (MD) simulations using finitely extensible non-linear elastic (FENE) potential with controllable adhesion energy and adhesion strength and applied it in the ultra-precision cutting simulations of coated sapphire substrate. |
Woo Kyun Kim ; Dalei Xi ; Yiyang Du ; Aditya Nagaraj ; Suk Bum Kwon ; Dae Nyoung Kim ; Rui Liang ; Sangkee Min; |
| 375 | Pressure Dependence of Polymer Surface Tension Under Vacuum for Block Copolymer Nanopatterning Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Herein, this work aims to examine the pressure dependence on the surface tension for various polymer melts under high vacuum. |
Thanmayee Shastry ; Aum Sagar Panda ; Jiayu Xie ; An-Chang Shi ; Rong-Ming Ho; |
| 376 | Interdiffusion of Short Chain Associative Polymers in Thin Films: MD Simulation Study Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using molecular dynamics (MD) simulations, this study explores the interfacial dynamics at the associative/non-associative polymers interface using a bead-spring model starting with a length of 20 beads per chain with interacting beads of varying interactions 1 to 10 kBT typical to the van der Waals interactions and hydrogen bonds. |
Rosita Sivaraj ; Dvora Perahia ; Gary Grest; |
| 377 | Modeling Competition Between Phase Separation and Polymerization Under The Effect of Polydispersity Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We develop a phase-field model for a polymer blend using a polymerizing Cahn-Hilliard (pCH) formalism to understand the fundamental processes underlying the phase separation behavior of a mixture of two species independently undergoing linear step-growth polymerization. |
Hyeonmin Jeong; |
| 378 | Characterizing Water Structure at Diamond/Water Interface Using A Combination of MD Simulations, DFT Calculations and Spectroscopy Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we study the water structure at diamond/water interface using MD simulations and DFT calculations. |
Abdol Hadi Mokarizadeh ; Nityanshu Kumar ; Ali Dhinojwala ; Mesfin Tsige; |
| 379 | Predicting Covalent Organic Framework (COF) Membrane Performance By Mapping Molecular Interactions in Mixed Solvents Via Atomistic Modeling Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This approach will provide insight into future COF design and synthesis for persisting separation challenges. |
Katie Li-Oakey; |
| 380 | Ion-ion Separations in Biomimetic Water Channels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Through molecular dynamics simulations, we analyze an energy efficient and environmentally beneficial membranes for ion-ion separations that are embedded with artificial water channels. |
Tyler Duncan ; Harekrushna Behera ; Paul Irving ; Nico Marioni ; Harnoor Sachar ; Meron Y. Tadesse ; Zidan Zhang ; Everett Zofchak ; Manish Kumar ; Venkatraghavan Ganesan; |
| 381 | Characterization of Ion Binding Guided By ∆∆G and Mobility Calculations in Ethylene Oxide-rich Environments Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, ethylene oxide-rich environment systems are proposed for Li + separation. |
Ramón González-Pérez ; Alexander Dowling ; William Phillip ; Jonathan Whitmer; |
| 382 | Studies of Li Ion Conduction Mechanism for Zwitterionic Polymer Electrolytes Using Molecular Dynamics Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We discuss the dynamic properties, detailed structural features, and the interactions between Li ions and polyzwitterions/TFSI anions at the atomic level. |
Mizuki Kamata ; Amalie Frischknecht ; Kris Delaney ; Glenn Fredrickson; |
| 383 | Gas Permeance in Polymer Membranes: Computational Approaches Near and Far from Ideal Behavior Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using a combination of molecular dynamics and Monte Carlo methods, we explore gas permeance behaviors of several materials including ladder polymers, polyimides, and polysulfones using fully atomistic simulations. |
Samuel Layding ; Gabrielle Dobkin ; Robert Riggleman; |
| 384 | Role of Hydration on Ion Transport in The Transition from Dry to Wet Salt-doped PEO Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we apply atomistic molecular dynamics simulations to probe the role of hydration on salt transport in the transition from dry to poorly hydrated to water-percolated salt-doped PEO. |
Nico Marioni ; Oscar Nordness ; Rahul Sujanani ; Akhila Rajesh ; Zidan Zhang ; Benny Freeman ; Rachel Segalman ; Raphaële Clément ; Venkatraghavan Ganesan; |
| 385 | Microscopic Theory of The Effects of Penetrant Shape on Activated Dynamics and Selectivity in Polymer Melts and Crosslinked Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We generalize the force level self-consistent cooperative hopping theory for the activated relaxation and diffusion of dilute spherical penetrants in polymer melts and crosslinked networks to explicitly address the role of non-spherical molecular shape at fixed space filling volume (1d rod-like, 2d planar-like, 3d globular-like). |
Baicheng Mei ; Kenneth Schweizer; |
| 386 | Investigating The Effect of Hydration Ratios on Hydroxide Conductivity in Anion Exchange Membranes from Non-reactive Molecular Dynamics Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we implement atomistic molecular dynamics (MD) simulations across three different AEM chemistries with ion contents ranging from 20% to 50%, and water/hydroxide ratios ranging from 0 – 40. |
Janani Sampath; |
| 387 | Impact of Morphology on Water Dynamics in Hydrated Copolymers for Proton Exchange Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We study novel fluorine-free copolymers with transport properties rivaling those of perfluorosulfonic acid polymers that are promising as proton exchange membranes. |
Max Win ; Amalie Frischknecht ; Karen Winey ; Victoria Lee; |
| 388 | Finding Non-aqueous Proton Conductors for Polymer-based Electrolytes Using Density Functional Theory Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This study employs density functional theory to investigate amphoteric molecules, capable of both accepting and donating protons, as potential non-aqueous proton conductors. |
Yifan Liu ; Valentino Cooper; |
| 389 | Computational Analysis of Small Angle Scattering Measurements on Polymer Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Analysis of the results from such SAS measurements, especially for materials with network morphologies often desired for membranes, is not easy with conventional analytical models. To alleviate this challenge with analysis of SAS measurements of network morphologies, we have developed a computational method using random fields. |
Stephen Kronenberger ; Nitant Gupta ; Jason Madinya ; Arthi Jayaraman; |
| 390 | Polyethylene-block-polyacrylate Based Block Copolymers for High Ionic Conductivity Polymer Electrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we develop and study the polyethylene-block-polyacrylate based block copolymers doped with ionic liquids, and observe a significantly high ionic conductivity of ~1 mS/cm at room temperature. |
Maninderjeet Singh ; Alamgir Karim ; Eva Harth ; Siddharaj Dabade; |
| 391 | Charge Asymmetry Suppresses Coarsening Dynamics in Liquid–Liquid Phase Separation of Polymer Coacervates Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using dissipative particle dynamics simulation, we show that charge asymmetry fundamentally alters the LLPS dynamics in PEC. |
Shensheng Chen ; Zhen-Gang Wang; |
| 392 | Fusion of Block Copolymer Micelles in Ionic Liquids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Block copolymer micelles in dilute solutions have been the subject of extensive research aimed at investigating equilibrium structures. |
Ali Sattari ; Timothy Lodge; |
| 393 | Solvent Quality Exponent Inferred from Extensional Relaxation Times of Unentangled Polymer Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we propose an alternative procedure based on analyzing extensional relaxation time as a function of concentration for a given polymer. |
Vivek Sharma ; Jelena Dinic ; Carina Martinez ; Cheryl Slykas ; Damien Vadillo; |
| 394 | Zwitterionic Copolymeric Gel for High-performance Ionic Thermoelectric Generators Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The selectively ion-boosted, fully self-healable TEGs developed in this study will open a new horizon for high-performance ionic TEGs. |
Yong Min Kim; |
| 395 | Simulations of Swollen, Self-assembled Single-ion-conducting Multiblock Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work we study self-assembled single-ion-conducting multiblock copolymers that are swollen with solvents and that show improved lithium-ion conductivity over dry materials. |
Mark Stevens ; Amalie Frischknecht ; Daniel Vigil ; Benjamin Ferko ; Karen Winey; |
| 396 | Ionic Conductivity of Highly-Asymmetric Block Copolymers Based on Polymer Ionic Liquids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our prior studies found that the bulk ionic conductivity of certain lamellar-forming materials was significantly depressed relative to simple predictions of the normalized ionic conductivity based on the ionic conductivity of the PIL homopolymer, the composition of the BCP, and the self-assembled morphology of the BCP. We hypothesized that this depression is due to poor connectivity among ionic domains in the lamellar phase, and we tested this hypothesis by examining the ionic conductivity in a series of highly asymmetric BCPs (spherical and cylindrical morphologies) having a majority PIL phase. |
Samuel Adotey ; Gila Stein ; Yangyang Wang; |
| 397 | Improving Lithium Conductivity in Surfactant-Like Multiblock Copolymers Through Selective Solvent Swelling Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work explores the effect of a wide variety of selective solvents on lithium conductivity as measured by electrochemical impedance spectroscopy. |
Benjamin Ferko ; Daniel Vigil ; Mark Stevens ; Amalie Frischknecht ; Karen Winey; |
| 398 | Investigation of The Adsorption Behavior of Sodium Carboxymethyl Cellulose on Carbon Black Towards The Understanding of Li-ion Battery Slurry Stability Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we attempt to investigate the adsorption behavior in the model system of sodium carboxymethyl cellulose (CMC) and carbon black (CB) from the perspective of CMC dynamics as the interaction between particle and polymer induces an inevitable conformational change of polymer. |
Eunheui Gwag ; So Youn Kim; |
| 399 | Influences of Chain Polarity and Molecular Weight on Ion and Polymer Dynamics in Polymerized Ionic Liquids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we employ coarse-grained molecular dynamics simulations to explore whether similar effects extend to polymerized ionic liquids. |
Jester Itliong ; Amalie Frischknecht ; Mark Stevens ; Issei Nakamura; |
| 400 | Enhanced Ion Conductivity of Poly(ionic Liquid)-Grafted Nanoparticle-based Hybrid Electrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This study shows the importance of chain confinement and particle percolation for the single-ion conductor design. |
Ruhao Li ; Pinar Akcora ; Deniz Bulucu; |
| 401 | Including Stiffness and Glass Transition Temperature Differences in A Coarse-grained Model of Salt-doped Block Copolymer Electrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our prior work focused on understanding how key physical parameters, such as the dielectric strength of the polymers as modeled through scaled Coulomb interactions and an ion-monomer solvation potential, act to set the overall trends in structural and dynamic properties. Our generic coarse-grained model captured the most salient structural and dynamic trends in these systems such as how ion conductivity and domain size change as a function of ion concentration. |
Yuanhao Zhang ; Lisa Hall; |
| 402 | Control of Viscoelasticity and Ion Transport in Dynamic Polymer Networks Using Lithium Salts Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Vitrimers are dynamic polymer networks which can offer self-healing and unique physical properties relative to conventional polymers. Here, the properties of polyethylene oxide … |
Christopher Evans ; Seongon Jang ; Erick Hernandez Alvarez ; Chen Chen ; Paul Braun ; Andre Schleife ; Charles Schroeder; |
| 403 | Effect of Concentration on Solution State Redox Activity- A Bridge Between Polymer Physics and Electrochemistry Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we investigate the redox activity of phthalimide-based polymers in an organic electrolyte system at different concentrations. |
Khirabdhi Mohanty ; Jodie Lutkenhaus ; Stuart Rowan ; Daniel Tabor ; Juan dePablo ; Sheila Keating ; Riccardo Alessandri ; Aaron Peng ; Cheng-Han Li ; Cheng-Han Li; |
| 404 | Effect of Flow on Charge Transport in Semi-Dilute Redox Active Polymer Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This model is used to show how polymer extension in strong flows give rise to modified charge transport both between chains and within the same chain. |
Dejuante Walker ; Charles Sing; |
| 405 | Functional Block Copolymer Gyroidal Hybrid Nanomaterials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This talk will discuss block copolymer self-assembly directed hybrid materials with double and single gyroid morphologies. |
Ulrich Wiesner; |
| 406 | Stabilizing Gyroid Structures By Blending or Asymmetry of High-χ Oligomers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work provides molecular-level insights into how blending and asymmetry of shape-filling molecular architectures enables network phase formation with extremely small feature sizes over a wide composition and volume fraction ranges. |
J. Ilja Siepmann ; Daoyuan Li ; Caini Zheng ; Mahesh Mahanthappa ; Timothy Lodge ; Zhengyuan Shen; |
| 407 | Gyroid Materials: Triply Periodic Minimal Surfaces, Skeletal Graphs, Mesoatoms and Crystallographic Defects Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Triply periodic minimal surfaces (TPMS) have zero mean curvature and their associated constant mean curvature families are all quite good structural models for many … |
Edwin Thomas; |
| 408 | Conformational and Topological Correlations in The Gyroid Morphology Formed By Non-frustrated Triblock Copolymers with Homopolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we investigate whether the stability of the gyroid phase can be improved by relieving the packing frustration using homopolymers. |
Natalie Buchanan ; Krysia Browka ; Lianna Johnson ; Hillary Le ; Poornima Padmanabhan; |
| 409 | Metastable Network Phases from Controlled Self-Assembly of High-χ Block Copolymers for Biomimetic Materials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, this work aims to suggest a facile method for acquiring network phases from self-assembly. |
Rong-Ming Ho; |
| 410 | How Does Your Gyroid Grow? A Mesoatomic Perspective on Supramolecular, Soft Matter Network Crystals Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: I describe a proposed framework for understanding the structure of supramolecular network crystals formed in soft matter in terms of mesoatomic building blocks, collective groupings of amphiphilic molecules that play a role analogous to atomic or molecular subunits of hard matter crystals. |
Gregory Grason; |
| 411 | Programmable Self-Assembly of Nanoplates Into Bicontinuous Nanostructures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, we demonstrate coarse-grained Monte Carlo simulations showing self-assembly of hexagonal/triangular nanoplates via complementary interactions into facetted, sponge-like "bicontinuous polyhedra" whose flat walls partition space into a pair of mutually interpenetrating labyrinths. |
Tomonari Dotera ; Hideaki Tanaka ; Stephen Hyde; |
| 412 | "Inverting" Caspar-Klug Design Rules for Programmable Assembly of Size-controlled Minimal-surface Assemblies Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We propose and investigate an extension of the Caspar-Klug symmetry principles for viral capsid assembly to the programmable assembly of size-controlled triply-periodic polyhedra, discrete variants of the Primitive, Diamond, and Gyroid cubic minimal surfaces. |
Christian Santangelo ; Carlos Duque ; Douglas Hall ; Botond Tyukodi ; Michael Hagan ; Gregory Grason; |
| 413 | A Multiscale Molecular Simulation Approach to Designing DNA Decorated Colloids for Double Gyroid Self-Assembly Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Gyroidal sructures are of interest for different applications, which has fueled interest in developing different types of building blocks to achieve them. Inspired by previous modeling studies, in this simulation work we focus on developing colloidal particles as building blocks and take advantage of hybridizing DNA strands grafted to nanoparticle surfaces to design effective interactions that lead to the self-assembly of the double gyroid phase. |
Luis Nieves Rosado ; Fernando Escobedo; |
| 414 | Oral: Role of Interaction Range on The Microstructure and Dynamics of Attractive Colloidal Systems Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using molecular simulations, we explored the effect that the range of attractions has on the microstructure and dynamics of both weakly and strongly attractive colloidal systems. |
Deepak Mangal ; Safa Jamali; |
| 415 | Theoretical Results for The Gyroid Wire System Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We discuss the classical and non-commutative geometry of wire systems which are the complements of triply periodic surfaces. |
Birgit Kaufmann ; Ralph Kaufmann ; Sergei Khlebnikov; |
| 416 | Disconnectivity Graphs of Spin Glass Systems on Snub Archimedean ($3^2$, 4, 3, 4 ) Lattices Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We use augmented disconnectivity graphs to visualize and analyze the energy landscapes of small spin systems confined to Snub Archimedean lattices of type ($3^2$,4,3,4). |
Anil Katwal ; Katja Biswas; |
| 417 | Engineering Ion Selectivity in Polymer Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I will discuss a few recent topics from our work on using atomistic and coarse-grained simulations to uncover the physics of solubility and diffusivity selectivities in polymer membranes. |
Venkatraghavan Ganesan; |
| 418 | Bridging Insights Between Ion Transport in Battery Electrolytes and Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: I will discuss both our efforts to develop superionic membranes that operate in a rigorously dry state for battery applications and also the effects of hydration on ion conduction in both superionic and ionic polymer electrolyte systems. |
Rachel Segalman ; Benny Freeman ; Raphaële Clément ; Rahul Sujanini; |
| 419 | Harnessing Structure-Dependent Separation Behavior of Thin Film Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using this framework, two different thin film membranes were synthesized: polyamide membranes embedded with graphene oxide nanoplatelets (GONPs) and carbon nanodots (CNDs) membranes. |
Santanu Kundu; |
| 420 | Understanding Nanoconfinement and Atom-Specific Correlations to Manipulate Molecular and Ion Transport Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: I will discuss example systems (including solid-polymer Li+ battery electrolytes, H-bonding liquids, and water-bearing membranes) that build bridges between liquid-like and solid-like transport, thus motivating new compositions and new morphologies for polymer-based electrolytes and separations technologies. |
Louis A Madsen; |
| 421 | Processing and Separation Performance Principles of Zeolitic Imidazolate Framework Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: [1] In this talk, I will discuss synthesis and post-synthesis modification methods we have been developing based on vapor and liquid phase processing and use of electron-beam-, X-ray- and plasma-induced modifications. |
Michael Tsapatsis; |
| 422 | Understanding The Role of Crosslink Density and Linear Viscoelasticity on The Shear Failure of PSAs Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we will discuss the role of crosslink density and linear viscoelasticity on the shear failure of PSAs. |
Gabriel Sanoja ; Anthony Arrowood ; Mohammad Ansari ; Matteo Ciccotti ; Rui Huang ; Kenneth Liechti; |
| 423 | Impact of Topological Defects on Fracture and Fatigue of Polymer Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we report a defect-network fracture model that accounts for the impact of various types of topological defects on fracture of polymer networks. |
Shaoting Lin ; Zhaohan Yu; |
| 424 | Essence of Elastomeric Fracture Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Gum rubbers have been found to be stronger and tougher (i.e., more resistant to crack propagation) at lower temperature since nearly seventy years ago. According to the standard … |
Zehao Fan ; Shi-Qing Wang; |
| 425 | Large Strain Micromechanics of Thermoplastic Elastomers with Random Microstructures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we present a new methodology to address the microscopic deformation mechanisms in TPU materials with highly disordered microstructures. |
Hansohl Cho ; Jaehee Lee ; Jehoon Moon ; Gregory Rutledge ; Mary Boyce; |
| 426 | Unveiling The Fracture Mechanism for Entangled Polymer Melts Under Extensional Flow with Molecular Dynamics Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We conducted molecular dynamics simulations of polymer melts under extensional flow using the Kremer-Grest model incorporating a breakable bond potential. |
Danyang Chen ; Michael Rubinstein; |
| 427 | Molecular Simulations of Polymer Thin Film Necking: Ductility from Entanglements and Plane Stress Condition Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Recent advances in the nanotechnology of fabricating and characterizing polymer thin films have enriched conventional thermoplastic mechanics. One intriguing observation is a … |
Siteng Zhang ; Zhiqiang Cao ; Xiaodan Gu ; Ting Ge; |
| 428 | Predicting Failure Locations in Model End-linked Polymer Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we introduce an approach combining coarse-grained molecular dynamics simulations and network analysis techniques to investigate the effectiveness of GEBC and polymer strand orientation in predicting failure locations in model end-linked polymer networks. |
Han Zhang ; Robert Riggleman; |
| 429 | Viscoelasticity and The Persson-Brener Model Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We demonstrate that the adhesion tests are qualitatively related to the dynamic moduli and use a more direct comparison (the Persson-Brener model of crack propagation [1]) to show a quantitative relationship between adhesion and dynamic moduli at low speeds. |
Kurt VanDonselaar; |
| 430 | Stability of Ductile Fracture of Plastics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Mechanical behavior of highly ductile plastics (PET, LLDPE) does not require fracture mechanics to describe unless a large notch is present. We study characteristic responses of such plastics in terms of the nature of mechanical failure, e.g., whether test geometry affects the mode of macroscopic separation. |
Chaitanya Gupta ; Asal YousefiSiavoshani ; Shi-Qing Wang; |
| 431 | Accounting for Brittle Yielding in Soft Materials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our study shows that the brittility of soft materials can be described as a continuum, and plays a critical role in determining the rate of yielding transition. |
Simon Rogers ; Krutarth Kamani; |
| 432 | Characterization of Near-Wall Effects During The Puncture of Soft Solids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Addressing these shortcomings is vital to ensure consistent methodology, measurements, and interpretation across samples and labs. To fill this gap, we examine the role of finite sample dimensions (and by extension, volume) on measured forces to determine the sample geometry needed to perform and unambiguously interpret puncture tests. |
Christopher Barney ; Szabolcs Berezvai ; Allison Chau ; Angela Pitenis ; Robert McMeeking ; Megan Valentine ; Matthew Helgeson; |
| 433 | Polymers for Impact Mitigation: New Measurements Provide Insights Into An Old Problem Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: These time scales are typically several orders of magnitude faster than the time scales of the characterization techniques used by this community to quanitfy the relaxation processes. We revisit these correlations between toughness and polymer relaxations by using quasielastic neutron scattering (QENS) to quantify the collective excitations and molecular relaxations that occur on the time scale of pico- to nanoseconds, and then see how these polymer motions correlate with mechanical toughness. |
Christopher Soles; |
| 434 | Regarding Viscoelastic Effects in Elastomeric Fracture Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we move into viscoelastic regime and investigate how our formulation of elastomeric fracture needs to be generalized. |
Shi-Qing Wang ; Zehao Fan ; Asal Siavoshani ; Junpeng Wang ; Ming-Chi Wang; |
| 435 | Conformational Dynamics of Submicron-sized Wormlike Polyelectrolyte Chain in Viscous Fluid Flows Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We investigated the single chain of polyelectrolyte in the external flow fields by extending our previous studies on coarse-grained Brownian dynamics simulation. |
Myung-Suk Chun ; Min Sun Yeom; |
| 436 | Effect of Homopolymer Length on Relaxation and Structure of Complex Coacervate Core Hydrogel Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, the relaxation and structure of C3Hs is investigated as a function of polymer architecture and homopolyelectrolyte length. |
MoonChul Ryu ; SooHyung Choi; |
| 437 | Relaxation Dynamics in Polyelectrolyte Aqueous Solutions in Non-linear Shear Flows: A Molecular Dynamics Simulation Study Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: The interactions of polyelectrolytes with water are multifaceted, where this highly polar solvent would preferentially reside in the vicinity of the ionic domains, and … |
Shalika Meedin ; Gary Grest ; Dvora Perahia; |
| 438 | Triple Screening and Plasmon Mode in Polyelectrolyte Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we test the concept by probing concentration fluctuations in aqueous solutions containing a well-studied polyelectrolyte, sodium poly(styrene sulphonate) (NaPSS) with neutron scattering, theory, and molecular dynamics simulations. |
Rajeev Kumar ; Jan-Michael Carrillo ; Ryan Poling-Skutvik ; Murugappan Muthukumar ; Amanda Marciel ; Jacinta Conrad; |
| 439 | Dynamics of Polyelectrolytes in Convex Lens-induced Confinement (CLiC) Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we determined the diffusion of negatively charged, fluorescently labeled, sodium polyacrylate (NaPA) near negatively charged glass surfaces in Convex Lens-induced Confinement as a function of ionic strength using differential dynamic microscopy. |
Brittany Roopnarine ; Svetlana Morozova; |
| 440 | Response of A Polyelectrolyte to Shear Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: The distribution of counterions around a model polyelectrolyte, sodium polystyrene sulfonate (NaPSS), under shear is investigated at single molecular level. A pH-responsive … |
Jiang Zhao; |
| 441 | The Effect of Ion Exchange Capacity on Water Uptake and Ion Transport in Anion-conducting Polyelectrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we investigate bromide conducting thin films with different ion exchange capacities combining in situ RH generator-ellipsometer-QCM with electrochemical characterization on nano-fabricated interdigitated electrodes. |
Ruilin Dong; |
| 442 | Behavior of Halide-ion-Screened Cationic Polyelectrolyte Brushes Probed Using All-Atom Molecular Dynamics Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we employ all-atom molecular dynamics (MD) simulations to study the halide-ion-specific effects in the behavior and properties of cationic PMETA-X brushes (PMETA: [Poly(2-(methacryloyloxy)ethyl trimethylammonium]; X: F -, Cl -, Br -, I -), i.e., PMETA brushes screened with halide ions. |
Siddhartha Das ; Raashiq Ishraaq; |
| 443 | Moving Beyond The Arrhenius Law for Ion Hopping in Glassy Polymer Electrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our study also revealed significant temperature variations of the dielectric permittivity and the instantaneous shear modulus in the glassy state of these polymers. Using the Anderson and Stuart model, we demonstrate that these variations provide strong justifications for variations of the free energy barrier for ion hopping. |
Catalin Gainaru ; Anisur Rahman ; Tomonori Saito ; Rajeev Kumar ; Ken Schweizer ; Alexei Sokolov; |
| 444 | Tailoring Molecular Interactions in Acid-Tethered Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we report a methodology to decouple ion mobility from polymer relaxation by precisely manipulating intermolecular interactions within SPEs. |
Gyeong-Chan Kang ; Moon Park; |
| 445 | Crystallinity, Thermal Properties, and Conductivity in Salt-Containing POEM/PEO Polymer Electrolyte Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Ionic conductivity was measured as a function of salt concentration, blend composition, and temperature using electrical impedance spectroscopy (EIS). We aim to create a matrix of data that allows for exploration of the relationship between polymer structure, salt concentrations, and the physical, thermal, and electrochemical properties of these blends in order to understand how the presence of EO-containing side chains decrease PEO crystallinity and increase conductivity. |
Marissa Gallmeyer ; Hsin-Ju (Jenny) Wu ; William Breining ; Whitney Loo; |
| 446 | Chain Topological Effects on Collective Ion Transport in Lamellar Block Copolymer Electrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we model lithium salt-doped poly(styrene-b-ethylene oxide) (PS-b-PEO) BCPEs by molecular dynamics (MD) simulations in microsecond time scale and united atom resolution. |
Kyeong-Jun Jeong ; Chang Yun Son; |
| 447 | Pinching Dynamics and Extensional Rheology of Polyvinylpyrrolidone Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This contribution characterizes the extensional behavior of dilute, semi-dilute, and entangled aqueous PVP solutions using Dripping-onto-Substrate rheometry protocols. |
Louie Edano ; Vivek Sharma; |
| 448 | Agricultural Spray Drift Control Via Extensional Rheology and Viscoelastic Pinching Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we examine the relationship between spray drift and the shear and extensional rheology of aqueous solutions containing ultrahigh molecular weight neutral and charged polymer adjuvants. |
Yash Vidyasagar ; Rohini Gupta ; Dean Oester ; Francis Choi ; Prabodh Varanasi ; Vivek Sharma; |
| 449 | Conformational Properties of Cyclic Polyelectrolytes in Dilute Solution Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We investigate the equilibrium conformations and structure of cyclic PE chains for a wide range of electrostatic strengths and polymerization degrees by using coarse-grained molecular dynamics and scaling arguments. |
Jaroslaw Paturej ; Andrzej Grzyb ; Khristine Haydukivska ; Aykut Erbas ; Jaroslaw Klos; |
| 450 | Breaking Symmetry in Self-assembled, Triply-periodic, Supramolecular Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We turn to a recently-developed, pseudo-mechanical model of BCP network deformations, "liquid network theory," which is able to capture key elements of network response, including non-affinity, strut length variations, and mass transport. Using comparisons with molecular theory and experiments, we show how this relatively simple construction captures the complex, coordinated motion of macromolecules under different deformation protocols. |
Michael Dimitriyev ; Xueyan Feng ; Edwin Thomas ; Gregory Grason; |
| 451 | The Effect of Orientation in Double-Gyroid Thin Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: To better understand the effect of thin-film confinement on the DG phase, we use self-consistent field theory to compute the equilibrium morphology and energetics of DG thin films confined between non-preferential walls. |
Benjamin Magruder ; David Morse ; Christopher Ellison ; Kevin Dorfman; |
| 452 | Shine on You Crazy Gyroid: Lessons from Birds, Butterflies and Beetles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using synchrotron Small Angle X-ray Scattering (SAXS), we have unambiguously elucidated the nanoscale organization of biophotonic nanostructures across hundreds of species and discovered the enigmatic single network gyroid photonic crystals within wing scales of butterflies 1, beetles 2 and more recently in the feather barbs of some birds 3. |
Vinodkumar Saranathan ; Eric Dufresne ; Richard Prum; |
| 453 | Molecular Dynamics Simulation of Guerbet Glycolipid Self-assembly Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Overall, this work provides an atomistic perspective of glycolipid self-assembly, shedding light on the packing mechanism in amphiphiles. |
Caini Zheng ; Soumi Das ; Michelle Calabrese ; Theresa Reineke ; Mahesh Mahanthappa ; Timothy Lodge ; J. Ilja Siepmann; |
| 454 | Łucja Kowalewska (Gyroid Focus Session)Gyroid- and Diamond-Type Membrane Configurations of Plants – Where Geometry Defines The Biological Function Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In my talk, I will present how we recognize and annotate cubic assemblies using our SPIRE software tool, which enables the identification of bicontinuous membrane structures from TEM sections through interactive matching by comparison to mathematical “nodal surface” models. |
Łucja Kowalewska; |
| 455 | Reformulation of Elasticity Theory for Lipid Membranes, with Implications for Gyroid Structures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we suggest a mathematical reformulation of the theory, which writes the free energy as the sum of squares of two modes. |
Jonathan Selinger; |
| 456 | Predicting Surfactant Phase Behavior from Molecularly Informed Field Theories Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The resulting molecularly-informed field theory can then be simulated with the mean-field approximation to efficiently determine the stable surfactant mesophases. In this project, we will demonstrate how we apply this multiscale methodology to predict surfactant solution phase behavior for several, well-studied surfactants de novo and obtain qualitative agreement with experimentally observed phase behavior. |
David Zhao ; Steven Arturo ; M. Scott Shell ; Glenn Fredrickson; |
| 457 | Analysis of Stability of Cylindrical Multicomponent Vesicles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we inspect the linear stability of a cylindrical vesicle with multiple phospholipids on the surface undergoing phase separation and diffusion. |
Anirudh Venkatesh ; Aman Bhargava ; Vivek Narsimhan; |
| 458 | Bacterial Vesicle Production Scales with Outer Membrane to Cell Wall Crosslink Density Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work we examine how vesicle production scales with the number of crosslinkers tethering the outer membrane to the cell wall. |
Brian Weaver ; Fengjie Zhao ; Christoph Haselwandter ; James Boedicker; |
| 459 | Origins of Secondary Nanoplastics from Semicrystalline Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work proposes that semicrystalline polymers form nanoplastics (100 nm and smaller) due to the preferential fragmentation of amorphous phase tie chains which originally provided the connectivity between adjacent crystalline lamellae. |
Sanat Kumar; |
| 460 | Polymer-to-polymer Chemical Transformations to Produce Specialty Plastics from Waste Polyolefins Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: For two specific associating groups, we demonstrate this approach by functionalizing, polycyclooctene with (1) hydroxyl groups to mimic poly(ethylene-co-vinyl alcohol) copolymers or (2) carboxylic acid groups to mimic poly(ethylene-co-acrylic acid) copolymers. |
Karen Winey; |
| 461 | Aliphatic Polyester Block Polymers As Compostable Tough Plastics and Resilient Elastomers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The monomer, 4-methyl caprolactone, can be prepared from cresols, which in turn can come from renewable lignin, in an economical manner and the corresponding polymer is industrially compostable. In this presentation I will discuss our recent efforts to prepare block polymers from these hard and soft components and focus on architecture control (e.g., triblocks, star blocks, graft blocks, sterocomplexes), the influence of tacticity in the poly(lactide) segments, the ultimate properties of these materials as tough plastics or resilient elastomers, and the environmental fate in soils and compost. |
Marc Hillmyer; |
| 462 | Informatics-Driven Design of Solvent Systems and Depolymerizable Polymer Materials for Improved Plastics Recycling Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: High thermomechanical stability under a variety of conditions is desirable for many polymer applications, but this durability comes at the cost of insolubility, infusibility and non-recyclability. To address this problem, we must overcome the fundamental disconnect between polymer stability and facile reuse, reprocessing, degradation and recycling. |
Blair Brettmann ; Mona Amrihesari ; Jaehyun Cho ; Joseph Kern ; M.G. Finn ; Rampi Ramprasad; |
| 463 | Mechanical Recycling of Packaging Feedstocks: Input and Outpu Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We will explore hurdles and approaches to increase the recyclability of plastic packaging and how APR approaches design for packaging. |
Scott Trenor; |
| 464 | Forensics of Brush Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We apply a forensics-like approach to the analysis of the mechanical properties of brush-like poly(n-butyl acrylate) (PBA) networks with systematically varied degree of polymerization (DP) of side chains n sc=0-41, number of repeat units between them n g=1-10, and DP of the backbone between crosslinked side chains n x =25-1200 . |
Andrey Dobrynin ; Yuan Tian ; Sergei Sheiko; |
| 465 | Things Fall Apart: Understanding and Controlling Self-rupture During Dynamic Swelling Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our work focuses on the dynamics of the swelling process in PEG-based hydrogels, and in particular on self-rupture induced by imbibement. |
Michelle Driscoll ; Caroline Szczepanski ; Shih-Yuan Chen ; Alyssa VanZanten ; Samira Khan; |
| 466 | Understanding The Molecular Origin of Non-linear Rheological Behavior in Associative Polymer Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Understanding the molecular origin of non-linear rheological behavior in associative polymer networks. |
Yu Zheng ; Devosmita Sen ; Bradley Olsen; |
| 467 | Kinetics of Polymer Gel Formation Cause Deviation from Percolation Theory in The Dilute Regime Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Gelation has long been conceptualized and modelled as a percolation process, in which bond formation or destruction events are random. Percolation assumes that connections are … |
Haley Beech ; Tzyy-Shyang Lin ; Devosmita Sen ; Dechen Rota ; Bradley Olsen; |
| 468 | Diffusion-Aggregation Controls Thixotropic Kinetics in Colloidal Gels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: SCD applies a series of creep measurements where a constant shear rate is applied to induce yielding, followed by resting periods and subsequent constant stress to measure yield time. |
Elnaz Nikoumanesh ; Ryan Poling-Skutvik; |
| 469 | Time for Relaxation: Stress Dissipation Mechanisms of PEG Gels During Swelling Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we show that analysis of unsteady-state swelling reveals the mechanisms by which internal stresses are dissipated in a polymer network. |
Alyssa VanZanten ; Shih-Yuan Chen ; Samira Khan ; Michelle Driscoll ; Caroline Szczepanski; |
| 470 | Quantifying Cyclic Topology in Polymer Networks Using 3D Nets Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: A cycle counting algorithm is designed to characterize local as well as global cyclic topology. |
Devosmita Sen ; Bradley Olsen; |
| 471 | Coherent States Field Theory for Supramolecular Miktoarm Star Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we explore the use of AB n miktoarm star copolymer and Bn star homopolymer with terminal functional groups as supramolecular building blocks to construct a network. |
Dan Sun ; Glenn Fredrickson; |
| 472 | Effect of Polymer Architecture on Micelle Formation, Ordering, and Gelation in Aqueous Block Polymer Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We combine rheology with differential scanning calorimetry (DSC) and small-angle X-ray scattering (SAXS) to show differences in the kinetics and thermodynamics of micellization. |
Joanna White ; Adelyn Crabtree ; Timothy Lodge ; Michelle Calabrese ; Frank Bates; |
| 473 | Independent Characterization of The Elastic and Mixing Free Energy of Density of Swellable Polymer Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Despite decades of research, it remains challenging to develop accurate constitutive models for swellable polymer networks. |
Qihan Liu ; Zefan Shao; |
| 474 | The Impact of Molecular Architecture on The Viscoelastic Properties of 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 ; Sirui Ge ; Sheng Zhao ; Bingrui Li ; Subarna Samanta ; Alexei Sokolov; |
| 475 | Linking Geometry to Failure: Utilizing Lattice Structures to Tailor The Failure Mode of Soft Gels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: By varying the aspect ratio of the imposed lattice pattern, as well as the rigidity of the PEG network (as manipulated by network cross-link density), we observe a transition in failure mode, e.g., from catastrophic to slow and diffuse failure. |
Caroline Szczepanski ; Alyssa VanZanten ; Emily England ; Samira Khan ; Shih-Yuan Chen ; Michelle Driscoll ; Giuseppe Buscarnera; |
| 476 | Properties and Applications of Reversible Bottlebrush Polymers with A Dithiolane Backbone Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work demonstrates the unique properties of degradable bottlebrush polymers and reports a new approach to the salable synthesis of bottlebrush polymers and networks. |
Rafael Verduzco ; Dongjoo Lee ; Hanqing Wang; |
| 477 | Design of Surface-active "high Energy" Bottlebrush Copolymer Additives for Polymer Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We report the development of surface-active "high energy" bottlebrush copolymer additives for commodity polymers, an advance that leverages the strong entropic attraction of branched polymers towards surfaces. |
Nilesh Charpota ; Gila Stein ; Rafael Verduzco ; Tanguy Terlier; |
| 478 | Di-block Ring Polymers As Topological Adhesives at Immiscible Polymer Interfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The topological analysis demonstrates that the threading of the AB rings by linear chains from the two opposite sides, which resembles the hook-and-loop process in Velcro tapes, is the key mechanism for the stronger interfacial adhesion due to the di-block rings. |
Andrew Wijesekera ; Daniel Vigil ; Gary Grest ; Ting Ge; |
| 479 | Core-Corona Micelles from Bottlebrush and Star-like Polymers at Liquid-Liquid Interfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, molecular simulations have been used to provide structure-interfacial property relationships for bottlebrush and star-like polymers composed by hydrophilic sidechains as well as sidechains that combine hydrophobic and lipophobic properties. |
Carlos Andres Salinas Soto ; Abelardo Ramirez-Hernandez; |
| 480 | Rectangular Centered Cylinders-in-Undulating-Lamellae from ABC Bottlebrush Block Terpolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This study demonstrates that stiff bottlebrush architectures can spawn new materials with attractive morphologies and properties. |
Shuquan Cui ; Elizabeth Murphy ; Wei Zhang ; Aristotelis Zografos ; Liyang Shen ; Frank Bates ; Timothy Lodge; |
| 481 | Beyond Linear Polymers: The Role of Bottlebrush Structures in Refining Nanoscale Patterns Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: These characteristics arise from their unique chain architecture and the consequential steric hindrance introduced by the closely packed side chains. In this study, we exploit these distinctive characteristics of bottlebrush polymers for potential use in nanoscale patterning materials. |
Changhyeon Lee ; Jihun Ahn ; Yeojin Choe ; Su-Mi Hur ; TAEYI KIM; |
| 482 | Topological Effect on The Lifshitz Point of Block Copolymer/Homopolymer Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using random- phase approximation (RPA), we show that the nature of the Lifshitz point depends on the topology of the block copolymers, exhibiting a "second-order transition" and "first-order transition" behaviours in ABA/A and BAB/A blends, respectively. |
Anchang Shi ; Jiayu Xie; |
| 483 | Emergence of Disordered Hyperuniformity in Melts of Linear Diblock Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, using point patterns that correspond to the local energy minimum of the Quantizer energy where similarly-sized sphere-like polyhedra that tile space are preferred, we initialize large-cell self-consistent field theory simulations and obtain a new type of disordered micelle mesophases with a hidden long-range order known as disordered hyperuniformity, i.e., the infinite-wavelength (normalized) density fluctuations is completely suppressed. |
Duyu Chen ; Michael Andreas Klatt ; Glenn Fredrickson; |
| 484 | Contour Length Fluctuations and Melt Density Control The Universality of Block Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, it is challenging to guide experiments precisely by using simulations because it is very hard to correctly relate simulation model parameters to real quantities such as temperature, polymer length, and density. We describe how to build block copolymer melt models to make this mapping especially easy and universal. |
Artem Petrov ; Alfredo Alexander-Katz; |
| 485 | Efficient Simulation of High-Generation, Dendritic Phytoglycogen Nanoparticles Using Dynamical Self-Consistent Field Theory Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We use dynamical self-consistent field theory (dSCFT) to simulate the evolution of a PG nanoparticle in water. |
Benjamin Morling ; John Dutcher ; Robert Wickham; |
| 486 | Structure and Dynamics of Highly Segregated Ionizable Triblock Co-Polymers in Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This study focuses on highly segregated ionizable triblock copolymers in the polyelectrolyte regime. |
John Bracewell ; Dvora Perahia ; Gary Grest; |
| 487 | Copolymer Vesicles: Thermodynamic Motifs of Self-Assembly and Shear-Induced Reorganization Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: In shear flow experiments, copolymer vesicles are seen to break up into lamellar fragments which further organize into wormlike micelles (Heinrich et al., Biophys. J., 76, 2056 … |
Radhakrishna Sureshkumar ; Senyuan Liu; |
| 488 | Transition Pathways for Exchange and Fission in Diblock Copolymer Micelles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We evaluate both the exchange and fission problems from multiple perspectives by employing state-of-the art enhanced sampling techniques in molecular dynamics simulations, as well as using dynamic self-consistent field theory coupled with the string method. |
Samuel Varner ; Kevin Dorfman ; Timothy Lodge ; Zhen-Gang Wang; |
| 489 | Pulling Water Out of Thin Air: The Remarkable Adsorption Capacity and Water Transport of Continuous Films of Covalent Organic Frameworks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Molecular dynamics and density functional theory reveal water diffusion pathways and favored physisorption sites within TAPB-PDA respectively. |
Emil Sandoz-Rosado ; Frederick Beyer ; Mathew Ivill ; David McLeod ; Eric Wetzel; |
| 490 | Droplet-to-particle Levitation Transition in Acoustic Levitation: Spontaneous Breath Figure Formation and Impact on Dissolution Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: A simple model describes simultaneously the radius and temperature evolution along the droplet-to-particle transformation, and the scaling of surface pore dimensions, with environmental parameters. |
Joao Cabral ; William Sharratt ; Roisin O’Connell; |
| 491 | Humidity-induced Glass Transition of A Polyelectrolyte Brush Creates Switchable Friction in Air Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Considering polyelectrolyte brushes, we report findings that reveal, with increasing relative humidity, a trend of frictional shear forces decaying over two orders of magnitude only after achieving a critical humidity, which can be controlled by the polymer and counterions. |
Stephen Merriman ; Saranshu Singla ; Ali Dhinojwala; |
| 492 | Molecular Simulation and Machine Learning Analysis on Glass Transition Temperature (Tg) Variability in Polymer Thin Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Seeking to clarify the conditions under which Tg of polymer films starts to deviate from the bulk values, and to shed lights on the intrinsic mechanisms of glass transition droppage, we employed molecular dynamics simulations on both supported and freestanding films. |
Gabriella Irianti ; Hector Allan Pérez-Ramírez ; Jihun Ahn ; Su-Mi Hur; |
| 493 | Structure Formation in Thin Cellulose Films Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Structure formation in thin cellulose films has been studied. Starting from molecular solutions of cellulose, full amorphization of cellulose films is achieved through sequential … |
Howard Wang ; Pengfei Liu ; Wei Li ; Tao Zhu ; Yoshiharu Nishiyama ; Robert Briber; |
| 494 | Controlling Impact Mitigation of Nanocellulose Films with Bouligand Nanostructures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we study the relationship between liquid crystal structure and mechanical properties of CNC films at the micro and nanoscales under high speed impact. |
Rebecca (Sujin) Lee ; Jan Obrzut ; Katherine Evans ; Christopher Soles ; Edwin Chan; |
| 495 | Humidity Induced Swelling of Sustainable Chitosan Nanocomposite Thin Films for Optical Sensors Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Humidity sensors play an essential role in monitoring product quality and lifetime in the pharmaceutical and manufacturing industries. Recently thermoplastic polymers and … |
Wafa Tonny ; Samuel Wallaert ; Justin Smith ; Venkatesh Balan ; Megan Robertson ; Alamgir Karim; |
| 496 | Anomalous Slow Down in The Kinetics of Capillary Rise Infiltration of Random Copolymers Into Packings of Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we investigate the CaRI involving random copolymer infiltrating random packings of silica nanoparticles using in situ ellipsometry. |
Taeyoung Heo ; Anastasia Neuman ; Madeline Maurer ; Robert Riggleman ; Daeyeon Lee; |
| 497 | Development of Superhydrophobic Polymer Nanocomposite Coatings with Antimicrobial Properties Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, polymer nanocomposite coatings are developed to provide surfaces with antifouling and antimicrobial properties. |
Kiriaki Chrissopoulou ; Franceska Gojda ; Alexandros Thomos ; Erta Petsi ; Minas Stylianakis ; Fanourios Krasanakis ; Spiros Anastasiadis; |
| 498 | High Energy Density of Multi-layer Polymer Nanocomposite Thin Film Dielectric Capacitor Loaded with Low Volume BaTiO3 Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we used a sandwiched structure to increase the energy density of the PNC by implementing different ratios of NPs. |
Ugur Aslan ; Alamgir Karim ; Maninderjeet Singh; |
| 499 | Fracturing and Controlled Cracking Path in Topological Maxwell Lattice Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we stretch the lattices to the failure stress of the material and observe non-trivial cracking paths in the topological materials. |
Xinyu Wang ; Siddhartha Sarkar ; Stefano Gonella ; Xiaoming Mao; |
| 500 | The Escape Transition in A Self-avoiding Walk Model of Linear Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk I will prove that there is an escape transition in the lattice model in the thermodynamic limit corresponding to the escape transition of a compressed grafted linear polymer. |
Esaias Janse van Rensburg; |
| 501 | Dry-brush Entropic Attraction in Block-copolymer Stabilized Drops Significantly Reduces The Drainage Time in Flow-induced Coalescence Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we calculate the exact interaction energy between two hard wall interfaces with grafted polymer DBs, through self-consistent mean field theory and include it in the boundary integral code. |
Carolina Vannozzi; |
| 502 | Mechanics of Head-Carrying Textile Rings Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we study the mechanics of textile rings constructed from different fabrics and different wrapping strategies. |
Sanika Barve ; Douglas Holmes; |
| 503 | Self-Entagled States of Linear Catenanes in Poor Solvent: Knots and Threadings Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We used molecular dynamics simulations to explore self-entanglements in collapsed linear catenanes, unveiling two types of topologically complex states. |
Pietro Chiarantoni ; Cristian Micheletti ; Zahra Ahmadian Dehaghani; |
| 504 | Tying Together Yarn Compression and Knit Fabric Jamming Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using computational simulations of stockinette fabric, we present a new energy marker for jammed knit fabrics that shows that the rest state of the fabric is not a minimum contact energy state. |
Sarah Gonzalez ; Michael Dimitriyev ; Sabetta Matsumoto; |
| 505 | Topological Entanglement in Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we will see how new advances in mathematical topology lead to new tools that can be used to measure topological entanglement in polymers of varying architectures (e.g., ring or linear). |
Eleni Panagiotou; |
| 506 | Twisted Structure of Multifilament Bundles and Sheets Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We will discuss the analysis of the shapes and torques required in terms of the Geometric yarn model [1], and by generalizing the energetics derived for twisted two filament bundles [2] noting the important contributions of stretching, bending, and contact, besides twist. |
Animesh Biswas ; Amit Dawadi ; Arshad Kudrolli; |
| 507 | Capturing Corrugation, Folding, and Multi-stability in Knit Materials with An Elastic Continuum Finite Element Model Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We use this model to explore the vast geometric space, and expect it to allow us to design fabrics with particular target properties. |
Helen Read ; Kausalya Mahadevan ; Vanessa Sanchez ; Katia Bertoldi; |
| 508 | Exploring The Design Space of Polycatenated Metamaterials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we report a rational design platform based on topologically interlocking wireframes, allowing the creation of polycatenated metamaterials with tailor-made global structural pliancy. |
Wenjie Zhou ; Sujeeka Nadarajah ; Chiara Daraio; |
| 509 | Geometry and Mechanics of Densely-packed Helical Filaments Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we consider a elementary geometry of helical close-packing of a single filament, extending the pioneering study of Pryzbyl and Pieranski (EPJE 2001) on the helical close-packing of the ideal rope model. |
Benjamin R. Greenvall ; Gregory Grason; |
| 510 | Programming Knitted ExoSkins to Assist with Knee Joint Motion Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we designed programmed knitted exoskins that can provide resistive torques to resist knee joint flexion (i.e., body weight support) and compared their capabilities with off the shelf knee braces currently in market. |
Krishma Singal ; Samuel Kirschner ; Houriyeh Majditehran ; Andrew Schulz ; David Hu ; Emily Sanders ; Gregory Sawicki ; Sabetta Matsumoto; |
| 511 | Braiding, Twisting, and Weaving Microscale Fibers Using Capillary Forces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we will discuss how to braid microscale fibers into specific topologies using 3D-printed machines that harness capillary forces [1]. |
Ahmed Sherif ; Cheng Zeng ; Maya Winters Faaborg ; Michael Brenner ; Vinothan Manoharan; |
| 512 | Knotting Semi-flexible Filaments with Centrifugal Forces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: From Brownian Dynamics numerical simulations, we found that at high centrifugal accelerations, the semi-flexible filaments may acquire long-stable configurations characterized by a knotted leading head and a trailing stretched tail, revealing that stable configurations can also be intriguing. |
Lucas H P Cunha ; Luca Tubiana ; Sibani Lisa Biswal ; Fred MacKintosh; |
| 513 | Functional Upcycling of Crosslinked Polyurethanes Via Reactive Extrusion Decrosslinking Through Catalyzed Carbamate Exchange Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Altogether, this work seeks to develop an effective catalytic reactive-extrusion mediated depolymerization process where the feedstock materials are crosslinked PU networks, low molecular weight urethane end capping agents, and catalysts. |
Kailong Jin ; Jared Nettles ; Timothy Long; |
| 514 | Thermomechanical Recycling of Polymers Via Reversible Dynamic Crosslinking Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The work provides fundamental insights into the thermomechanical recycling of polymers. |
Rahul Karmakar ; Sanat Kumar ; Tarak Patra; |
| 515 | Engineering Photo-responsive Recyclability Into Polymer Networks for Sustainable 3D Printing Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: To enable recycling of scrap materials, we report photo-reversible polymer networks that are crosslinked and un-crosslinked using different wavelengths of light. |
Eleanor Quirk ; Michael Burroughs ; Brendan Wirtz ; Tracy Schloemer ; Daniel Congreve ; Danielle Mai; |
| 516 | Mesoscale Modeling of Random Chain Scission in Polymer Melts Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Herein we develop a mesoscale framework to model random scission in polyethylene melts at high temperatures. |
Arefin M. Anik ; Vaibhav Palkar ; Igor Luzinov ; Olga Kuksenok; |
| 517 | Molecular Insights Into Cleavable Bond-Modified Polyethylene: High-Throughput Simulations for Circular Polymer Design Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our study focused on elucidating the effects of cleavable bonds on heat of vaporization, density, diffusion, and viscosity, key parameters for polymer processing, within a range of temperatures in the melt phase. |
Archit Chabbi ; Maria Ley-Flores ; Riccardo Alessandri ; Sam Marsden ; Isabella Vettese ; Stuart Rowan ; Juan De Pablo; |
| 518 | Upcycling Plastic Waste Into Tough, Fully Recyclable Composites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We propose an innovative approach that enables direct reprocessing of waste materials into durable composites via cold sintering. |
Po-Hao Lai ; Shelby Hall ; Rui Shi ; Bryan Vogt ; Enrique Gomez; |
| 519 | Title:Upcycling Polymers Into Functional Coatings Through SLED Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we explore the use of SLED as a means of upcycling polymer waste into functional porous and dense coatings of polymers and polymer composites. |
Isha Shah ; Jouan Yu ; Robert Green-Warren ; Jonathan Singer ; Michael Grzenda; |
| 520 | Tunable Functionalization and Upcycling of Polyolefins to Polyurethanes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We are exploring chemical functionalization and processing strategies for converting waste polyolefins to high value materials for advanced manufacturing and use. |
Megan Robertson ; Ronard Herrera Monegro ; Ramanan Krishnamoorti; |
| 521 | Modeling Polyolefin Catalytic Cracking with Zeolite Catalysts Under Flow Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Herein, using Machine Learning (ML) coupled with Dissipative Particle Dynamics (DPD), we develop a coarse-grained model to simulate the reaction-extrusion process of polyolefin with catalyst under flow. |
Sidong Tu ; Soumya Ray ; Fei Zhou ; Valentin Rodionov ; Joao Maia; |
| 522 | Effect of Initial Molecular Weight Distribution in Polyethylene Melts on Degradation Process at High Temperatures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We use dissipative particle dynamics (DPD) to probe the effects of initial molecular weight distribution on random scission in linear polymer melts. |
Cassandra Simpson ; Arefin M. Anik ; Vaibhav Palkar ; Olga Kuksenok; |
| 523 | Mapping Pore-level Activity of Catalysts for Polymer Upcycling Through Dielectric Spectroscopy Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we present a method to monitor the progress of a scission-based reaction inside porous catalysts by tracking the evolving dielectric signature of the reacting polymer. |
R Bharath Venkatesh ; Jon Bingaman ; Samantha Ausman ; Lynn Walker ; Susannah Scott ; Rachel Segalman; |
| 524 | Modeling The Rheology of Gelation Using Recovery Rheology Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Moreover, the current understanding of gelation fails to explain interesting experimental observations such as the existence of an overshoot in the loss modulus. In the present work, we construct a phenomenological model of the rheology of gelation based on recovery rheology and demonstrate its generality on systems that gel via a variety of mechanisms. |
Jiachun Shi ; Yash Kamble ; Haisu Kang ; Charles Sing ; Damien Guironnet ; Simon Rogers; |
| 525 | A Comparison of Phase Separation in Gels Using Different Elastic Models Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we calculate candidate phase diagrams for five elastic models in the three geometries and show that finite extensibility can lead to anomalous-looking phase diagrams because of extreme stretching induced at high solvent fraction. |
Shichen Wang ; Peter Olmsted; |
| 526 | Hierarchical, Porous Hydrogels Demonstrating Structurally Dependent Mechanical Properties Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we show how the pores introduce an additional deformation mode in the hydrogels, which strongly influences the mechanical properties of the hydrogels. |
Elisabeth Lloyd ; Robert Hickey ; Chao Lang; |
| 527 | A Molecular Theory for Liquid Crystal Elastomers: Nematic Ordering, Shape Deformation and Mechanical Response Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we develop a self-consistent field theory for LCEs which captures the coupling between nematic ordering, backbone alignment and network deformation. |
Luofu Liu ; Rui Wang; |
| 528 | Molecular Dynamics As A Lens Into Condensed Matter Mechanochemistry Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Mechanochemical reactions are increasingly understood to drive the functional characteristics of technological materials, but the fundamentals are difficult to isolate in … |
Matthew Kroonblawd; |
| 529 | "Quantifying Localized Stresses in The Matrix of A Fiber-Reinforced Composite Via Mechanophores" Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: To gain deeper insights, we employ confocal microscopy, allowing us to visually track mechanophore activation and conduct a quantitative evaluation of fluorescence intensity. |
Nazmul Haque ; Chelsea Davis ; Chia-Chih Chang ; Jared Gohl ; Hao-Chun Chang; |
| 530 | Assembly and Disassembly of Supramolecular Polymers with Tunable Ionic Bonds Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We demonstrate that leveraging the electrostatic interactions between chain-end(s) functionalized oligomers, supramolecular polymers can be “synthesized during use”. |
Shuyi Xie ; Kseniia Karnaukh ; Rachel Segalman; |
| 531 | FLIM-FRAPP: Near-Simultaneous Characterization of Multi-Scale Polymer Dynamics Via Fluorescence Microscopy Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: To this end, we present FLIM-FRAPP, a near-simultaneous and multi-scale hybrid approach between Fluorescence Lifetime Measurement (FLIM) and Fluorescence Recovery After Patterned Photobleaching (FRAPP), to probe the glass transition temperature and self-diffusion coefficient of a melt-state polymer thin film. |
Mary Jutze ; Walter Young ; Jasney Combs ; Reika Katsumata; |
| 532 | Quantification of Stress Fields Ahead of A Cutting Blade Via Mechanophores Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: No matter whether fracture is desired or unwanted, understanding the effects blade and material properties have on the fracture and stress responses of a material is critical to enable better design of products. This research aims to describe fracture and stress fields inside elastomers due to cutting and the effects blade radius has on these properties. |
Tyler Roberts ; Shaobo Zhan ; Hao-Chun Chang ; Chia-Chih Chang ; Stephen Beaudoin ; Shelby Hutchens ; Chelsea Davis; |
| 533 | Mechano-Optoelectronic Conjugated Polymeric Thin Films with Nano-Structured Lamellae for Self-Sensing of Mechanical Strain Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we aim to understand how the MO properties of the thin films are affected by the nano-structures of the P3HT through empirical and simulation studies. |
Donghyeon Ryu ; Kyungtae Kim ; Youngmin Lee; |
| 534 | Stress Quantification in A Composite Matrix Via Mechanophores Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: By embedding SPN into a polydimethylsiloxane (PDMS) matrix, we obtain force responsive polymers. |
Chelsea Davis ; Jared Gohl ; Tristan Wiley ; Hao-Chun Chang ; Chia-Chih Chang; |
| 535 | Coarse-Grained Molecular Dynamics of Polymer Electrolytes Using Drude Oscillators Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Ion-polymer interactions in polymer electrolytes must be strong enough to solvate ions and allow for separate cation and anion motion, however, very strong local interactions slow ion dynamics and reduce conductivity. We use generic models and molecular dynamic simulations to understand these effects and suggest strategies to design improved materials. |
Lisa Hall ; Mengdi Fan; |
| 536 | Role of Chain Architecture and Ion Size on Morphology, Dynamics, and Viscoelasticity of Ionomers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, coarse-grained molecular dynamics simulations will be used to study their morphology, dynamics, and rheology. |
Nazanin Sadeghi ; Fardin Khabaz; |
| 537 | Understanding Polymer Design Effects on Hydrated Ionomer Morphology and Hydrophilic Domain Structures Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we show how desired hydrophilic domain structures can be achieved by tuning the polymer design of the ionomers; and how the morphology of the various ionomer designs studied evolve while varying the extent of hydration. |
Jason Madinya ; Stephen Kronenberger ; Arthi Jayaraman; |
| 538 | Relationship Between Phase Behavior and Ion Transport in Single-ion Conducting Polymer Blends Electrolyte Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, I will introduce a novel class of electrolytes, single-ion conducting polymer blend electrolytes (SIPBE), generated by blending two distinct classes of polymers together. |
Hsin-Ju (Jenny) Wu ; Marissa Gallmeyer ; William Breining ; Whitney Loo; |
| 539 | Understanding The Impact of Li+ Vs Na+ Salt on The Mechanical and Dynamic Properties of Polyzwitterion-supported Ionogel Electrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we used atomistic molecular dynamic simulations to probe the impact of cation identity (Li +vs Na + ) on the elastic moduli and conductivity of single-salt (Li + or Na +) and mixed-salt (Li + and Na +) ionogels as a function of ZI weight percentage. |
Meron Y. Tadesse ; Mossab Alsaedi ; Venkatraghavan Ganesan ; Matthew Panzer; |
| 540 | Structure-Property Relationships in Mixed Ionic-Electronic Conductors Via Machine Learning-Enhanced Multiscale Modeling Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Leveraging this approach, we investigate the structural, ionic, and electronic properties of mixed ionic-electronic conductors based on redox-active nonconjugated polymers. |
Riccardo Alessandri ; Juan De Pablo; |
| 541 | Probing The Ion Binding Capabilities of Synthetic Polyzwitterions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In our work, we developed a tunable polymer platform through which we introduce systematic changes to the chemistry of the side chain and directly examine their impact on the polyzwitterion interactions with different ionic species as well as the chain architecture in solution. |
Carlos Medina Jimenez ; Matthew Tirrell; |
| 542 | Ice Nucleation and Zwitterionic Polymers: Ab Initio Investigations of Molecular Interactions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Notably, the recent development of zwitterionic polymer coatings has gained significant attention due to their outstanding anti-icing performance, making them prime candidates for anti-icing applications. In our study, we used Density Functional Theory (DFT) to gain a comprehensive understanding of ice nucleation and its structural properties when interacting with zwitterionic polymers. |
Sara Tolba ; Wenjie Xia; |
| 543 | Combined Effects of PH, Salt Concentration, and Ionizable Monomer Fraction on The Swelling Behavior and Hysteresis of Weak Polyelectrolyte Brushes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we investigate the combined effects of ionizable monomer fraction (25% to 100%), pH cycling (pH 3 through 10) and salt concentration (1 mM to 1 M) on the swelling behavior and hysteresis in weak basic PEBs using in situ ellipsometry. |
Shahryar Ramezani Bajgiran ; Farshad Safi Samghabadi ; Jacinta Conrad ; Amanda Marciel; |
| 544 | Localized Anionic and Hydrophobic Effects, Multiple Hydration States, and Counterions with Large Mobilities Inside Densely Grafted Cationic Brushes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we employ all-atom molecular dynamics (MD) simulations for resolving the localized (of unprecedented atomistic-scale resolution) behavior of the cationic PMETAC [Poly(2-(methacryloyloxy)ethyl trimethylammonium chloride] brushes. |
Raashiq Ishraaq ; Tanmay Sarkar Akash ; Arka Bera ; Siddhartha Das; |
| 545 | Exploring The Cooperative and Competitive Surface Adhesion of Polymers Containing Catechol and Cationic Residues Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This points towards a synergistic interplay between catechol and cationic residues. In this talk, we utilize polymer density functional theory to investigate the adhesion between charged surfaces mediated by polymers with varying composition of these two critical residues. |
Alejandro Gallegos ; Jianzhong Wu ; Zhen-Gang Wang; |
| 546 | Elucidating The Glass Transitions and Material Properties of Polyelectrolyte Complex Materials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We characterized the resulting solid PEC materials using dynamic mechanical analysis and tensile tests. |
Isaac Ramírez Marrero ; Emily Ng ; Rupert Konradi ; Bernhard von Vacano ; Nadine Kaiser ; Sarah Perry; |
| 547 | Sulfonated Ionomer (Bio)Composites for Use in Vanadium Redox Flow Batteries Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Sulfonated aromatic polymers, such as sulfonated poly (ether ether ketone) (SPEEK), have emerged as promising proton exchange membranes (PEMs) for vanadium redox flow batteries … |
Xueting Wang ; Annie Buck ; Bronson Lynn ; Mayura Silva ; Stephen Creager Creager ; Mark Thies ; Eric Davis; |
| 548 | Ion Transport Kinetics and Energy Barrier in Polymer Nanocomposite with Superionic Ceramic Nanorods Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: It is important to understand the enhancement mechanism, as the electrolyte design principles for these two mechanisms may vary. In this work, we investigate the ion transport and energy barrier controlling this transport in composites made with a single-ion-conducting (SIC) polymer electrolyte with lithium lanthanum titanate (LLTO) nanorods. |
Ji-young Ock ; Amit Bhattacharya ; Tao Wang ; Catalin Gainaru ; Jong Keum ; Anisur Rahman ; Sheng Dai ; Raphaële Clément ; Alexei Sokolov ; Chelsea Chen; |
| 549 | Liquid to Thermo-responsive Gel Using Liquid-Liquid Printing: Properties and Applications Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We exploited physical and electrostatic interactions to generate hollow-tubular-like hydrogels by liquid-liquid printing, taking advantage of a polyelectrolyte complex (PEC) formed between PDMAEMA and sodium poly (styrene sulfonate) (NaPSS). |
Zichen Jin ; Thomas Russell; |
| 550 | Bottlebrush Elastomers As Pressure Sensitive Adhesives Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have outlined a general framework for the design of additive-free adhesives, where properties are controlled by polymer brush architecture. |
Sergei Sheiko; |
| 551 | Interfacial Fatigue Fracture of Pressure Sensitive Adhesives Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, we report interfacial fatigue fracture of PSAs, i.e., the growth of an interfacial crack between a PSA and another material under prolonged cyclic loads. |
Yichen Wan ; Ruobing Bai; |
| 552 | Applying Time Temperature Superposition to Large Strain Shear Data in Foldable Applications Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work we explore the use of the Time Temperature Superposition principle, commonly used in linear small strain experiments, on foldable OCA’s at large non-linear strain conditions in order to predict shear decoupling performance at multiple rates and temperatures. |
Abigail Gill; |
| 553 | A Universal Strategy for Decoupling Stiffness and Extensibility of Polymer Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we design and synthesize networks by crosslinking foldable bottlebrush polymers, which feature a collapsed backbone grafted with many linear side chains. |
Baiqiang Huang; |
| 554 | Effect of Loop and Dangling End Defects on Strain Stiffening in Double Network Elastomers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We investigate the impact of loop and dangling end defects on the strain stiffening behavior of regularly-crosslinked polymer networks using a double network strategy. |
Jennifer Laaser ; Victoria Kong; |
| 555 | Elastomer Mechanics of Cross-linked Ring-Linear Polymer Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Recent studies have demonstrated the distinctive physical properties of non-concatenated ring polymers, such as the softness and stretchability of cross-linked ring polymers. … |
Siteng Zhang ; Daniel Vigil ; Thomas O’Connor ; Gary Grest ; Ting Ge; |
| 556 | Hyperelastic Swelling of Tough Hydrogels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using rheological and tribological measurements, we find that tough polyacrylamide and polyacrylic acid hydrogels, with moduli of order ~ 10-100 kPa, exclusively exhibit dilatancy when sheared. |
Justin Burton ; Jing Wang; |
| 557 | Retraction Behavior of Stretchable Hydrogels Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Elastic biopolymers such as resilin exhibit exceptional stretchability and resilience, which many species exploit in nature for mechanical energy storage to facilitate their … |
Santanu Kundu ; Mohammad Moinul Hossain; |
| 558 | Fracture of Ductile Plastics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work examines whether ductile fracture of certain plastics (PC, PP, HIPS, HDPE) can still be characterized in terms of a framework like one that has been successfully applied to describe phenomenology of brittle fracture [1]. |
Asal YousefiSiavoshani ; Chaitanya Gupta ; Shi-Qing Wang; |
| 559 | Exploring The Effects of Nanoparticle Loading, Dispersion and Structure on The Stress Response of Elastomeric Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Specifically, we present results that probe local and global mechanical properties, providing insights into the precise spatiotemporal origins of reinforcement in the nonlinear regime. |
Harshad Bhapkar ; Pierre Kawak ; David Simmons; |
| 560 | Effect of Hydrogen Bonds on Thermomechanical Properties of Polyamide Ionene Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we use a combination of molecular dynamics simulations and experimental characterization to understand the chemical composition-structure-thermomechanical properties of polyamide ionene, a self-healing elastomer. |
Edward Buckser ; Sudhir Ravula ; Pravin Shinde ; Jason Bara ; Jihong Ma; |
| 561 | Beyond Linear Response: Time-resolved Rheology of Interpenetrating Biopolymer Composites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we will discuss the nonlinear mechanical response of a biologically derived interpenetrating network composed of gelatin, fibrin and a non-specific enzymatic crosslinker through the use of Large Amplitude Oscillatory Strain (LAOS) rheology. |
Wayan Fontaine-Seiler ; Gavin Donley ; Emanuela Del Gado ; Daniel Blair; |
| 562 | Controlled Phase Behavior of Polymer-grafted Nanoparticles (PGNP) Blend Thin Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This study reveals how the presence of grafted nanoparticles influences the morphology and properties of blends of polymethylmethacrylate grafted nanoparticle silica (PMMA-SiO2) and polymers of different chemical classes. |
Abdulmaliq Abdulsalam ; Alamgir Karim; |
| 563 | Shear Flow/Complex Flow-induced Polymer Chain Scission in Entangled Melts Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, shear flow and complex flow-induced polymer scission are analyzed to enhance depolymerization processes for upcycling. |
Junghyun Ahn ; Jonathan Bingaman ; R Bharath Venkatesh ; Rachel Segalman ; Susannah Scott ; Lynn Walker; |
| 564 | Chemically Inert Nanoparticles Enhance Mechanical Degradation in Flowing Polymer Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This study applies molecular dynamics simulations to explore the flow-induced degradation of highly entangled polymer melts and polymer nanocomposites. |
Nattavipa Chongvimansin ; Songyue Liu ; Gary Grest ; Thomas O’Connor; |
| 565 | Enhanced Mechancial Properties in Uniaxially Stretched Films of Diblock Polymer Modified Poly(L-lactide) Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In summary, this work presents uniaxially- stretched but biaxially-toughened PEO-PBO/PLLA as a more sustainable alternative to conventional plastics. |
Jonathan Coote ; Charles McCutcheon ; Boran Zhao ; Matthew Larson ; Frank Bates ; Christopher Ellison; |
| 566 | Influence of Mixing Protocol on Block Copolymer Compatibilized PE/iPP Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Compatibilization of poly(ethylene) (PE) and isotactic poly(propylene) (iPP) using block copolymers is a promising approach for recycling mixed polyolefin plastic waste. An EXE … |
Gabriela Diaz ; Liyang Shen ; Kendra Flanigan ; Christopher Ellison ; Frank Bates; |
| 567 | Immiscible Polymer Blend Compatibilization Through Pendant Ionic Interactions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we demonstrate that low levels of incorporation of ionic bonds (1, 7 and 10 mol% pendant functionalization of a polymer backbone) formed via sulfonic acid to imidazole base proton transfer mechanism results in the formation of optically clear blends in an otherwise incompatible poly(dimethylsiloxane) and poly( n-butyl acrylate) mixture. |
Jerrick Edmund ; Kseniia Karnaukh ; Elizabeth Murphy ; Taejun Eom ; Shuyi Xie ; Eiko Ino ; Allison Abdilla ; Javier Read de Alaniz ; Craig Hawker ; Rachel Segalman; |
| 568 | Microscopic Insights Into Compatibilized Semicrystalline Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Employing a coarse-grained model that forms crystal lamellae, we use molecular dynamics simulations to investigate the interfacial structure of semicrystalline polymer blends with and without compatibilizer. |
Robert Ivancic ; Debra Audus; |
| 569 | Polymorphism and Stretch-Induced Transformations of Long-Spaced Sustainable Aliphatic Polyesters Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Polyethylene-like bioderived, biodegradable, and fully recyclable unbranched aliphatic polyesters, such as PE-2,18, develop hexagonal crystal structures upon quenching from the … |
Rufina Alamo ; Hamed Janani ; Stephanie Marxsen ; Marcel Eck ; Stefan Mecking; |
| 570 | Understanding and Controlling Polymer-Porous Solid Interactions for Polymer Upcycling Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: To enable efficient and selective polymer upcycling reactions, it is critical to understand and control the interactions between polymers and porous catalyst materials. In this presentation, I will describe our collaborative efforts to understand these interactions by modifying silica-based porous solids with atomic layer deposition (ALD). |
Daeyeon Lee ; Tian Ren ; Renjing Huang ; Ching-Yu Wang ; Chuting Deng ; Yinan Xu ; Kai Shen ; John Vohs ; Juan De Pablo ; Raymond Gorte; |
| 571 | Crystalline Structures and Transitions in Chemically Recyclable Poly(oligocyclobutane): Monomer Sequence and Tacticity Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Chain extension of telechelic (1,n′-divinyl)oligocyclobutane (DVOCB) oligomers using acyclic diene metathesis yields pDVOCB, a new class of semi-crystalline polyolefin. At … |
Shawn Maguire ; Cherish Nie ; Hang Zhang ; Chun Lam Clement Chan ; Richard Register ; Paul Chirik ; Michael Webb ; Rodney Priestley ; Emily Davidson; |
| 572 | Reactive Additives for Mechanical Recycling of Polyethylene Terephthalate-Polyethylene Mixed Waste Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work aims to better understand the effect of reactive functional group location. |
Erin Maines ; Caitlin Sample ; Aristotle Zervoudakis ; Marc Hillmyer ; Theresa Reineke ; Christopher Ellison; |
| 573 | Recyclable Biobased Self-blown Non-isocyanate Polyurethane Foams: Influence of Blowing Agent Structure and Concentration Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we have studied the effects of blowing agent concentration and thiol functionality to understand the structure-property relationships in PHU foams. |
Nathan Purwanto ; Yixuan Chen ; Tong Wang ; John Torkelson; |
| 574 | Decrystallization Free Energy in Polyesters: Insights from Molecular Dynamics Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We have developed a molecular dynamic-based protocol to estimate the potential of mean force to decrystallize a single chain from the polymer crystal surface in water. |
Daria Lazarenko ; Brandon Knott; |
| 575 | Investigating The Internal Structure of Methylcellulose Fibrillar Assembly in Aqueous Solutions Using Multiscale Modeling and Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: How the MC chains assemble into consistent fibril diameter has been debated by various groups and yet no conclusive answer has been found. To answer this question, we combine coarse-grained (CG) and atomistic molecular dynamics (MD) simulations. |
Audrey Collins ; Zijie Wu ; Stephen Kronenberger ; Arthi Jayaraman; |
| 576 | Changes to The Morphology, Density and Mechanical Stiffness of Phytoglycogen Nanoparticles Subjected to Acid Hydrolysis Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We performed acid hydrolysis, a process in which glycosidic bonds between the glucose subunits are broken by exposure to heated dilute acid. |
Yasmeen El-Rayyes ; Benjamin Baylis ; John Dutcher; |
| 577 | Sequence Effects on Thermodynamic Interactions in Protein Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: To understand the effect of single residue mutations, we explored a variety of different hydrophobic, hydrophilic, and charged amino acid mutations within the ELPs, showing how the cononsolvency behavior changes as a function of sequence. |
Bradley Olsen; |
| 578 | Electrostatics-driven Peptide-directed Encapsulation of Nanoparticles Into Protein Cages Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We build an experimentally-informed coarse-grained model with explicit ions and a Martini representation of water, and use it to perform molecular dynamics simulations to probe the mechanisms responsible for the encapsulation as the favorable co-assembly product. |
Wenhui Li ; Michael Rütten ; Niklas Mucke ; Tobias Beck ; Vikram Jadhao; |
| 579 | Characterization of Biomimetic Membranes Formed from Amphiphilic Block Copolymers Assembled at Oil-water Interfaces Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The objectives of this work thus aim to characterize the stability, adhesion, morphology, and selective transport properties of non-lipid amphiphile interfacial membranes through pendant drop interfacial tensiometry, electrophysiology characterization, and imaging of PBPEO-coated adhesive droplets. |
McKayla Torbett ; Stephen Sarles ; Manish Kumar ; Robert Hickey ; Elisabeth Lloyd ; Aida Fica ; Berkin Dortdivanlioglu ; Derya Bakiler; |
| 580 | Predicting and Simulating The Self-Assembly of Sequence-Specific Peptoids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we developed a bottom-up coarse-grained peptoid model, which allows access to longer and multiple peptoid systems. |
Daniela Rivera Mirabal ; Sally Jiao ; Evan Pretti ; Shawn Mengel ; Audra DeStefano ; Rachel Segalman ; Scott Shell; |
| 581 | Block Sequence Effects on Phase Behavior, Oligomerization, and Conformation of Racemic Polyampholyte Peptides Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Through SAXS, we detail the effect of block size on the conformation of PA assemblies and how block size be used to tune inter- and intra-molecular electrostatic interactions. |
Winnie Shi ; Amanda Marciel; |
| 582 | Discovering Optimal Kinetic Pathways for Self-assembly Using Automatic Differentiation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we exploit powerful automatic differentiation algorithms commonly employed by deep learning frameworks to optimize physical models of reversible self-assembly, discovering diverse solutions in the space of rate constants for 3-7 subunit complexes. |
Margaret Johnson ; Adip Jhaveri ; Spencer Loggia; |
| 583 | Biomolecules for Non-biological Things: Polymer, 2-d Lattice, and Liquid Crystal Construction Through Peptide ‘bundlemer’ Design and Solution Assembly Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: A new solution assembled system comprised of theoretically designed coiled coil bundle motifs, also known as ‘bundlemers’, will be introduced. The molecules and nanostructures are … |
Darrin Pochan; |
| 584 | Self-limitation in Geometrically Frustrated, Deformable Particle Assemblies with Finite Attraction Range 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, cylindrical shell-like particles, where an elastic energy emerges from curvature changes in stacks of uniformly spaced particles. |
Kyle Sullivan ; Montana Minnis ; Ryan Hayward ; Mark Stevens ; Gregory Grason; |
| 585 | Bio-Inspired Random Heteropolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: A new class of bio-inspired PMMA-based random heteropolymers (RHPs) have displayed versatile protein-like properties, including catalytic activities, transporting protons across a … |
Tianyi Jin ; Connor Coley ; Alfredo Alexander-Katz; |
| 586 | Intermolecular Protein Interactions and Self-assembly of A Synthetic Therapeutic T-cell Receptor-like Molecule Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Using a range of analytical tools such as light scattering, analytical ultracentrifugation (AUC), and thermal denaturation, we characterise the protein-protein and protein-excipient interactions and observe the formation of small, but stable oligomers. |
Emily Sakamoto-Rablah ; Jordan Bye ; Arghya Modak ; Shahid Uddin ; Jennifer McManus; |
| 587 | Beyond Antibiotics: Unravelling A Death Mechanism of Superbugs By Nanoengineered Star Peptide Polymers Through Molecular Simulation and Experiment Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Molecular dynamics (MD) simulation is a powerful technique that enables direct studies of molecular scale interactions among SNAPPs and bacterial cell envelope. |
Ellie Hajizadeh ; Amal Jayawardena ; Greg Qiao ; Andrew Hung; |
| 588 | Algebra for Classical Multiparticle Complexes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We introduce a general mathematical language for describing the formation and thermodynamics of classical multiparticle complexes in terms of algebraically-defined assembly rules. |
Rebecca Rousseau ; Justin Kinney; |
| 589 | Separation By Polyelectrolyte Complexation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here I will discuss the formation of porous membranes and porous-free membranes. |
Saskia Lindhoud; |
| 590 | Spectrophotometric Insights Into Protein Encapsulation in Polyelectrolyte Complex Micelles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, we discuss the evolution of protein structure and aggregation states upon their encapsulation into polyelectrolyte complex (PEC) micelles as well provide insights into the local environment in the PEC domains. |
Arthur Odenheimer ; Holly Senebandith ; Justin Caram ; Samanvaya Srivastava; |
| 591 | Nano and Micro Domains of Complex Coacervates in Organic Solvents to Encapsulate Enzymes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, there are few reports discussing their behavior in organic solvents. Here, we investigate the formation, structural characteristics, and stability of copolymer + homopolymer-based C3Ms in organic solvents of different polarities (such as toluene, chloroform, and ethyl acetate) with small amounts of water. |
Jussara Penido ; Arvind Sathyavageeswaran ; Stephanie Le ; Sankaran Thayumanavan ; Watson Loh ; Sarah Perry; |
| 592 | Microstructural Rearrangement in Polyelectrolyte Complex Hydrogels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we discuss the swelling and dehydration response of polyelectrolyte complex (PEC) hydrogels by elucidating their microstructural evolution to establish them as equilibrium structures. |
Holly Senebandith ; Fahed Albreiki ; Samanvaya Srivastava; |
| 593 | Influence of Mesh Size on The Structure and Properties of Polyelectrolyte Complex/Covalent IPN Hydrogels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, we will demonstrate the variation of the precursor chain length as an approach to tune the microstructure and the mechanical properties of PEC/covalent IPN hydrogels without changing polymer concentrations. |
Samanvaya Srivastava ; Defu Li ; Holly Senebandith ; Fahed Albreiki; |
| 594 | Dipole-driven Mesomorphic Templated Polymerization Creating Topologically Interlocked Nano-coacervates with Loops Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We propose the nano-coacervates made by the in-situ templated polymerization have the topological interlock between polycations and newly formed polyacrylate with flower-like loop conformation. |
Di Jia ; Yi Ming Yang ; Gui Kang Wang ; Yang Yang; |
| 595 | Block Polyelectrolytes Scaffolds for Underwater Injection and Bioadhesion Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this contribution, we show the preparation of wet bioadhesives consisting of two interpenetrating networks that comprise photocurable gelatin methacryloyl (GelMA) and electrostatically self-assembled block polyelectrolytes (bPEs). |
Fahed Albreiki ; Chad Nishimura ; Tianyue Yu ; Haleema Kashif ; Samanvaya Srivastava; |
| 596 | Nonequilibrium Molecular Dynamics of Flowing Complex Coacervates Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Systems display Rouse-like stress relaxation in linear response, and power-law shear thinning of the viscosity with increasing strain rate. We characterize how these rate-dependent trends depend on salt and solvent concentration, and temperature as coacervates are cooled toward glassy states. |
Thomas O’Connor; |
| 597 | Tension-based Control of Chain Conformation in Complex Coacervation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Linear charged chains can exhibit either compaction or extension within these coacervate environments, and this behavior, especially for biomacromolecules, remains relatively unexplored in the existing literature. To address this gap, we employ single molecule magnetic tweezers to control chain conformation using force, while the chain undergoes complex coacervation. |
Anna Nguyen ; Omar Saleh; |
| 598 | Designing Sequence-Defined Complex Coacervates Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we design and synthesize various patterned peptides as model polymers to study the role of sequence and hydrophobicity in our coacervates. |
Arvind Sathyavageeswaran ; Pankaj Kumar Pandey ; Sarah Perry ; Nickolas Holmlund ; Priyanka Kaushik ; Shannon McIntosh; |
| 599 | Theory of Complexation of Two Oppositely Charged Intrinsically Disordered Proteins: Application of Polyelectrolyte Physics to Explain Experimental Results Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present an analytical polymer model of polyelectrolyte complexation (PEC)[1,2], based on the Edwards-Muthukumar Hamiltonian[3,4] and counterion condensation and release[1,2], to quantitatively describe the driving forces of complexation of prothymosin alpha (ProTα) and histone (H1), two intrinsically disordered proteins with opposite net charges. |
Arindam Kundagrami ; Aritra Chowdhury ; Alessandro Borgia ; Souradeep Ghosh ; Andrea Sottini ; Soumik Mitra ; Rohan Eapen ; Madeleine Borgia ; Tianjin Yang ; Nicola Galvanetto ; Milos Ivanovic ; Paweł Łukijańczuk ; Ruijing Zhu ; Daniel Nettels ; Ben Schuler; |
| 600 | Constructing Supramolecular Peptide Lattices Through Rational Design and Mixing of Charged Coiled-coil Peptide ‘bundlemers’ Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Herein, we introduce a novel category of single-charged coiled-coil bundlemers where only one type of amino acid charge is present on the coiled-coil structures. |
Weiran Xie ; Rui Guo ; Yi Shi ; Jeffery Saven ; Darrin Pochan; |
| 601 | The Effect of Morphology on Ion Transport and Electrochemical Performance in Polymer-Based Composite Electrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, I discuss the development of composite electrolytes with different morphologies and their effect on ion transport and performance. |
Chelsea Chen; |
| 602 | Morphology of Polymers and Ions on The Atomic-Scale Revealed By Cryogenic Transmission Electron Microscopy Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The covalently bonded case enables a study of the role of halogen-bonding in lattice structures in polymer self-assembly. |
Xi Jiang; |
| 603 | Molecular Simulations of Polymer Nanocomposites Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk I will describe molecular simulations of two different polymer nanocomposites. |
Amalie Frischknecht; |
| 604 | Understanding The Character of Photoresponse in Glassy Polymeric Materials with Molecular Modeling Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we consider azobenzene-loaded polymer glasses as a route to developing rigid resins and adhesives that rapidly change mechanical properties on irradiation. |
Timothy Sirk; |
| 605 | Polymers, Composites, and Aerospace in 2030: Inventing The Stuff That Makes The Future Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Over a hundred years ago, the pioneers of aviation took flight in no small part due to polymeric innovations. Unquestionably, the future of aerospace will look as different as the … |
Richard Vaia; |
| 606 | Exploration of Complex Nanostructures in Block Copolymer Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I would like to show the importance of molecular interactions for stabilizing complex 3D structures and proposes the use of end-group chemistry as a versatile method for realizing thermodynamically stable network structures with high packing frustration in simple linear diblock copolymers. |
Moon Park; |
| 607 | Surface Mechanical Behavior of Water-Spread PS–PEG Cylindrical Micelles at The Air-Water Interface Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This presentation presents our latest findings regarding the behavior of cylindrical micelles at the air-water interface. |
Taesuk Jun ; Daniel Fesenmeier ; You-Yeon Won; |
| 608 | Polymer Evaporative Crystallization on Water Surface Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work concerns the polymer evaporative crystallization on water surface (ECWS). |
Christopher Li ; Qian Qian ; Shichen Yu; |
| 609 | PH-Dependence of Gold Nanoparticle Adsorption to A Weak Polyelectrolyte Brush Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: With increasing brush molecular weight, the brush heights increased and the grafting density decreased. We used AFM to characterize the brush out-of-plane surface structure and in situ ellipsometry to measure the film thicknesses as a function of pH. At pH=4.0 and pH=6.2, we monitored the adsorption of 10- and 20-nm citrate-functionalized Au NPs onto these brushes. |
Katie Sun ; Russell Composto ; Karen Winey; |
| 610 | Computational Design of Patchy Particles with Complex Surface Patterning Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: However, grand challenges in their rational design lie in the large space of potential experimental parameters and complex synthetic protocols. Here, we define a strategy for designing complex, reconfigurable building blocks that addresses the above limitations. |
Thi Vo; |
| 611 | Impact of Nanoparticle Curvature on Adsorbed Polymer Chain Structure and Local Glass Transition Properties Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, fluorescence spectroscopy and transmission electron microscopy are combined to enable direct imaging and measurement of local structure and properties of polymer chains adsorbed on nanoparticles. |
Katelyn Randazzo ; Sneha Srinivasan ; Daniele Cangialosi ; Rodney Priestley; |
| 612 | Size-Dependent Electrostatic Adsorption of Polymer-Grafted Gold Nanoparticles on Polyelectrolyte Brushes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we demonstrate that by tuning the salt concentration a polyelectrolyte brush selectively adsorbs larger nanoparticles. |
Ye Chan Kim ; Russell Composto ; Karen Winey; |
| 613 | Molecular Dynamics Study of The Interactions Between Polyethylene Nanoplastic Particles and Lipid Membranes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we investigate the interactions between polyethylene (PE) nanoplastic particles and model POPC lipid bilayers in water using all-atom (CHARMM36 force field) and coarse-grained (MARTINI) molecular dynamics (MD) simulations. |
Anderson Duraes ; Wenlin Zhang; |
| 614 | Self-assembly and Structural Relaxation in ‘patch-clasping’ Nanoparticles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We show that inter-NP bonds formed between interacting polymeric patches are longitudinally robust and rotationally flexible. |
Ahyoung Kim ; Kireeti Akkunuri ; Chang Qian ; Lehan Yao ; Kai Sun ; Zi Chen ; Thi Vo ; Qian Chen; |
| 615 | Unraveling The Role of Phenyl Groups on The Packing Process of Polystyrene Chains Bound to A Solid Surface Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we focus on revealing substrate-induced, short-range nanostructures of polymer melts strongly bound ("flattened chains") to solid surfaces. |
Yashasvi Bajaj ; Zhixing Huang ; Jan-Michael Carrillo ; Mikihito Takenaka ; Maya Endoh ; Tadanori Koga; |
| 616 | Probing The Buried Structure at The Silica/rubber Interface Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The details will be discussed in the presentation. |
Zhixing Huang ; Xiaoran Wang ; Tomomi Masui ; Hiroyuki Kishimoto ; Ruipeng Li ; Honghu Zhang ; Maya Endoh ; Tad Koga; |
| 617 | Controlled Disordering in Metal-Infiltrated Block Copolymer Nanopatterns Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In particular, we deliberately introduced defects into a single crystalline hexagonal array built on a sphere-forming block copolymer thin film. |
Sung Kwan Tae ; So Youn Kim; |
| 618 | Two-step, Stratified Crystallization in Conjugated Polymer Thin Films: The Role of Interfacial Effects Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we investigate the role of interfaces on solvent-free crystallization of poly-3-hexylthiophene (P3HT). |
Lucia Fernandez-Ballester; |
| 619 | Elucidating The Rotator Phase in A Chemically Recyclable Polyolefin Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In the end, this work provides fundamental understanding of rotator phase in DVOCB and illustrates design rules of rotator phase polymers. |
Hang Zhang ; Shawn Maguire ; R. Register ; Emily Davidson ; Michael Webb; |
| 620 | Shear Effects on Crystallization in Polyolefin Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we employ a multi-modal approach using a combination of rheo-Raman spectroscopy, differential scanning calorimetry, and optical and electron microscopy to explore the effects of shear on the morphology, crystallization kinetics, and rheological properties of blends of high-density PE and isotactic PP. |
McKenzie Coughlin ; Derek Huang ; Anthony Kotula ; Kalman Migler; |
| 621 | Quasi-Elastic Neutron Scattering Study on Dynamically Asymmetric Polymer Blends Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Our current work explores how the segmental dynamics of poly(methyl acrylate) (PMA) chains are affected in the presence of other polymers of different miscibility and rigidity. Precisely, we studied using the differential scanning calorimetry (DSC) and quasi-elastic neutron scattering (QENS) dynamic heterogeneity in bulk blends of PMA within poly(methyl methacrylate) (PMMA), polystyrene (PS), and poly(ethylene oxide) (PEO), below and above the glass transition temperature of PMMA and PS. |
Christopher Mbonu ; Naresh Osti ; Di Wu ; Pinar Akcora; |
| 622 | Knot Theory Perspective to The Globular States of Linear Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: By incorporating Molecular Dynamics simulations with knot analysis and comparing the results of linear chains to ring polymers (which lack chain ends and cannot form knots), we discovered that knot theory analysis can quantitatively distinguish between globular states. This offers a complementary perspective to traditional mean-field theories. |
Hao Guo ; Yanxi Li ; Mesfin Tsige; |
| 623 | Decoupled Main-Chain and Sticker Dynamics in Associating Comb Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study of novel associating comb polymers, we use electrochemical impedance spectroscopy (EIS) to reveal an unexpected bifurcation of the subsegmental dynamics. |
Chien-Hua Tu ; Eli Fastow ; Roshni Chethalen ; Georgios Papamokos ; Bryan Coughlin ; Karen Winey; |
| 624 | Theoretical Study of The Structure and Thermodynamics of Polymerized Ionic Liquids Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present a detailed study of ion-ion, ion-polymer and polymer-polymer real space pair correlations, their collective partial structure factor analogs, and the thermodynamic cohesive energy and bulk modulus of dense melts of polymerized ionic liquids (PILs) using PRISM integral equation theory with the modified-Verlet closure. |
Ankita Das ; Kenneth Schweizer; |
| 625 | Polyelectrolyte Solutions and Brushes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we use solid phase peptide synthesis (SPPS) and surface-initiated copper(0) controlled radical polymerization (SI-CuCRP) to produce polymers with controlled sequence and charge fractions. |
Amanda Marciel; |
| 626 | Mechanisms for The Creation of Hierarchically Structured Block Copolymer Hydrogels Via Nonsolvent Induced Phase Separation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We use multiple theoretical tools, including phase diagrams generated by a random phase approximation, 1D transport models, and phase-field models that incorporate Ohta-Kawasaki free energy functionals, to investigate the dynamics that leads to the nonequilibrium formation of hierarchical structures. |
Douglas Tree ; Rami Alhasan; |
| 627 | Assembly and Dynamics of Random Heteropolymers in Aqueous Environments Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We thus apply scattering techniques coupled with computational sequence analysis to probe the effects of segmental heterogeneity on RHP assembly and dynamics in solution. |
Alexandra Grigoropoulos ; Ting Xu; |
| 628 | Investigating T1 Relaxation Times in Common Photopolymers: A Comparative Study Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Utilizing 1H Field Cycling Nuclear Magnetic Resonance (FC NMR) relaxometry measurements, the effects of several parameters such as the curing time and the presence and … |
AJ Perez ; Ileana Lane ; Donovan Donald ; Donovan Donald ; Rosa Cardenas; |
| 629 | Oral: Exploring Molecular Mechanisms Underlying Mechanical and Rheological Response of Dispersed Polymer Melts from Molecular Dynamics Simulations Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: All properties are compared with monodisperse systems. Future work includes simulating free standing films of these systems, to understand how dispersity affects interfacial melt properties. |
Taofeek Tejuosho ; Janani Sampath; |
| 630 | Anisotropic Coarse-grained Models for The Structural Characterization of Unentangled Linear Polytetrafluoroethylene (PTFE) Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Benchmark evaluations for the C 96F 194 system reveal that the computational efficiency can be improved approximately 60 times than their AA counterparts. Therefore, our CG models offer accurate and efficient predictions of PTFE properties across different molecular weights, and are potentially applicable to study other PTFE-based polymers. |
Yen-Ting Hsu ; Hsiu-Yu Yu; |
| 631 | 3D Printing-guided Chiral Self-assembly in Cellulose-based Constructs Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, I present how combining the "bottom-up" molecular self-assembly with a "top-down" 3D printing technology can be exploited to program nano/microscale chiral arrangements in intricate geometries. |
Monirosadat (Sanaz) Sadati; |
| 632 | Controlling Chain Conformation in Amorphous Polymers Through Liquid Crystal Confinement Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This presentation introduces a novel approach to control the conformations of polymer chains in intrinsically amorphous materials using non-reactive liquid crystals (LCs). |
Xiaoguang Wang; |
| 633 | Quantifying Hydropathy of Self-assembling Biomaterials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Several research articles on amino acid hydropathy have attempted to describe protein folding and assembly. |
Shikha Nangia; |
| 634 | Revealing The Molecular Language of Protein Phase Separation Using Physics-Based Computational Approaches Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The latter part of the talk will focus on applying physics-based approaches my group and others developed to several important biological systems of interest. |
Jeetain Mittal; |
| 635 | A Novel Shear and Dilatational Interfacial Rheometer for The Study of Complex Interfaces Applied to Polymers at The Air-water Interface Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this contribution, we utilize a new trough instrument, the Quadrotrough (Y.S. Tein et al. |
Norman Wagner ; Moshe Gottlieb ; daniel Ashkenazi ; Kiet Pham ; Benjamin Thompson; |
| 636 | Encoding Latent Domain Orientation in Spray Deposited Block Copolymer Thin Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we report the self-assembly of asymmetric, cylinder-assembling polystyrene-block-poly(4-vinylpyridine) thin films deposited by ultrasonic spraying. |
Gregory Doerk ; Semih Cetindag ; Beatrice Bellini ; Ruipeng Li ; Esther Tsai; |
| 637 | Finite-size Effects on Capacitive Energy Storage in Ultra-thin Polymer and Block Copolymer 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. |
Alamgir Karim ; Maninderjeet Singh ; Dharmaraj Raghavan ; Nihar Pradhan; |
| 638 | Hierarchical Cylindrical Microdomains in An A1BA2C Tetrablock Terpolymer Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we observed, via small-angle X-ray scattering and transmission electron microscopy, tetragonally and rectangularly packed hierarchical cylindrical nanostructures by tailoring the volume fraction of polystyrene mid-block in polystyrene- b-polyisoprene- b-polystyrene- b-poly(2-vinylpyridine) tetrablock terpolymer (S 1IS 2V). |
Hyeongkeon Yoon ; Qingshu Dong ; Weihua Li ; JinKon Kim; |
| 639 | High-Density Spherical Packing Phases from A(AB3)3 Dendron-Shaped Miktoarm Star Copolymer Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, we synthesized A(AB 3) 3 miktoarm star copolymer using polystyrene (A) and poly(2-vinylpyridine) (B) through a combination of anionic polymerization, atom transfer radical polymerization (ATRP), and click reaction. |
Dokyung Woo ; Hyeongkeon Yoon ; Luyang Li ; Qingshu Dong ; Weihua Li ; JinKon Kim; |
| 640 | Morphology of Block Copolymer and Bottlebrush Blends in Thin Films and Bulk Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: The structure, properties, and assembly kinetics of block copolymers (BCPs) can be tuned through the use of additives. A variety of additives have been explored, including … |
Daniel Sunday; |
| 641 | Large Surface Area Non-equilibrium Morphologies Produced Via Sequential Thermal and Solvent Immersion Annealing of Block Copolymer Thin Films Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: So, it can be fairly expected that adding more complexity to the processing environment, say, by combining two or more of these annealing techniques, can alter the BCP thin film’s natural interactions, ordering kinetics, and morphology evolution. We explore such methods by combining DIA (liquid processed) and TA (heat processed) methods in a sequential manner. |
Kshitij Sharma ; Maninderjeet Singh ; John Ankner ; Sushil Satija ; Jack Douglas ; Alamgir Karim; |
| 642 | Coacervate Emulsions Stabilized By Synthetic Comb Polymers with Varying Chain Characteristics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, we will discuss the synthesis and characterization of a library of comb polyelectrolytes and their stabilization capabilities via high throughput synthesis instrumentation and stabilization studies. |
Caitlyn Fick; |
| 643 | Scaling Theory of Diblock Copolymer Surface Micelles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This work deals with the self-assembly of AB diblock copolymers into micelles with 2D corona and 3D core at the air-liquid interface. |
Artem Rumyantsev; |
| 644 | Modeling of Lubricant Additives Using A Molecularly-informed Field Theory Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: While computational approaches seem attractive, many types of lubricant additives are high-molecular-weight polymers present at significant concentrations (~5 wt%), which makes them difficult to study using traditional molecular dynamics methods due to length and time scale limitations. To overcome this obstacle, we use small-scale, atomistic simulations to parameterize field-theoretic models to probe the behavior of lubricant additives of realistic sizes while maintaining a connection to the underlying chemistry. |
Charles Li ; Michael Shell ; Glenn Fredrickson; |
| 645 | Thermotropic Side-Chain Polymer and Small-Molecule Ionic Liquid Crystals with Ion Transport in Nanoscale Domains Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This talk will highlight our recent research on liquid crystalline electrolytes composed of side-chain ionomers or amphiphilic salts with solely non-polar chains, where we aim to understand ion transport in phase segregated, nanoscale ionic domains. |
Jennifer Schaefer; |
| 646 | Molecular Engineering of Ion-Conducting Polymer Membranes: Synthesis, Properties, and Applications Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, we describe an overview of recent progress in the development of advanced ion-conducting (H + and OH –) polymers, key membrane properties, and their state-of-the-art performance in in real world applications of hydrogen fuel cells and water electrolyzers. |
Chulsung Bae; |
| 647 | Emergent Viscoelasticity in Polyelectrolyte Complex Coacervates: Relaxation, from Monomer to Entangled Polymer Chains Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This presentation will discuss the measurements of Pol +Pol – pair relaxation time, about 10 -9 s, to entangled polymer viscosity with an entanglement time of ~50 s. |
Joseph Schlenoff ; Khalil Akkaoui ; Zachary Digby; |
| 648 | Unreacted Amine Groups: Indispensable Keys to Unlock Imine Bonds in Dynamic Networks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Hence, the crucial role of unreacted amines, even in residual amounts, as a mediator of metathesis exchange, is often overlooked in the design and description of these networks. Therefore, we seek to provide a mechanistic description of the dynamic and viscoelastic behavior of telechelic and pendant functionalized model systems based on polydimethylsiloxane (PDMS) bearing imine bonds. |
Murillo Martins ; Peyton Carden ; Gaukhar Toleutay ; Sirui Ge ; Bingrui Li ; Alexei Sokolov; |
| 649 | Network Forming Liquids Create Tunable Nanostructures for Efficient Small Molecule Transport and Intermolecular Interactions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, we will discuss the link between nanoscale heterogeneity in network liquids and a liquid’s small molecule transport (e.g., CO2) properties. |
Jose Banuelos; |
| 650 | A Perspective on Statistical Physics in Constitutive Modeling Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The task is therefore to prescribe the mechanics of molecules constituting the material with (1) sufficient complexity to capture the desired physics, and (2) sufficient simplicity such that the resulting constitutive model is still analytically tractable. This presentation will highlight this overall perspective on statistical physics in constitutive modeling while providing some examples from the literature. |
Michael Buche; |
| 651 | A Statistical Mechanics Framework for Polymer Chain Scission, Based on The Concepts of Distorted Bond Potential and Asymptotic Matching, with Implications to The Lake-Thomas Theory of Polymer Fracture Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Despite this notable achievement, the uFJC model is unable to be fully cast in a numerically tractable fashion, limiting its applicability in an upscaled continuum setting. To rectify this, we develop the "composite" uFJC (cuFJC) model. |
Jason Mulderrig ; Samuel Lamont ; Franck Vernerey ; Brandon Talamini ; Nikolaos Bouklas; |
| 652 | Molecular-Level Constitutive Modeling of Nonlinear Deformations, Damage, and Fracture in Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Advances in experiments and synthesis have recently provided a new level of insight towards uncovering some of the hidden processes that occur during cavitation, fracture and damage. This presentation will focus on an array of theoretical and computational advancements, from statiscical mechanics of rupture at the single chain level, to different load-sharing modalities at the network level, to phase field fracture and gradient enhanced damage formulations to connect the dots between experimental observations in multiple scales and their theoretical underpinning towards obtaining deeper mechanistic insight for this complex process. |
Nikolaos Bouklas; |
| 653 | Micromechanics of Dynamically Cross-linked Nematics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This is because coupled interactions between the two phases are inherent to the microstructure and cannot be ignored. To account for this, we use a physical description of the material that accounts for each constituent and their naturally arising interactions at its foundation. |
Samuel Lamont ; Franck Vernerey; |
| 654 | Statistical Physics of (Quasi)-Brittle Fracture: Theory and Applications to Construction Materials Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, we introduce a novel fracture model for quasi-brittle materials that is grounded in statistical principles. |
Ariel Attias ; Franz-Josef Ulm; |
| 655 | Bridging Polymer Network Scales: Crosslinks As Fundamental Structural Units, and Emergent Multiphysics Phenomena Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here we use statistical mechanics to bridge between the monomer and polymer chain scales, then explore different ways of bridging between the chain and network scales, i.e. we explore different polymer network models. |
Matthew Grasinger; |
| 656 | Negative Energetic Elasticity in Gels: Insights from A Lattice Polymer Chain Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This model reproduces the temperature-dependent behavior of negative energetic elasticity observed in polymer gel experiments, suggesting that single-chain analysis can elucidate the properties intrinsic to polymer gel’s negative energetic elasticity. Through these insights, our work offers a comprehensive understanding of polymer gel mechanics. |
Nobu Shirai ; Naoyuki Sakumichi; |
| 657 | Coarse Grained Simulation of Molecular-motor Gels Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: By irradiating these gels with light, the motors undergo directional isomerization, causing the gel to contract or expand. In this study, we present a coarse-grained model to simulate and analyze the volume contraction of these gels. |
Jude Ann Vishnu ; Xuyang Yao ; Andreas Walther ; Friederike Schmid; |
| 658 | When Is The Poisson Ratio of Polymer Networks and Gels Larger Than 0.5? Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We use coarse-grained molecular dynamics simulations of networks and gels made of linear and brush-like strands to obtain deformation-dependent Youngs’ modulus and Poisson ratio in both linear and nonlinear deformation regimes. |
Yuan Tian ; Zilu Wang ; Andrey Dobrynin; |
| 659 | Liquid-like States in Micelle Forming Diblock Copolymer Melts Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: At temperatures slightly above the ODT, the fluid structure is inhomogeneous and consists of fluctuating micelles. We have developed a mean-field picture of this fluctuating micelle state by seeding self-consistent field theory calculations with initial conditions generated from molecular dynamics simulations of the Kob–Anderson fluid. |
Kevin Dorfman ; Zhen-Gang Wang; |
| 660 | Network Phase with Frank-Kasper-Like Symmetry from Controlled Self-Assembly of High-χ Star-Block Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Network phases can be obtained by using PS-selective solvent for controlled self-assembly of high- χ lamellae-forming polystyrene- block-polydimethylsiloxane (PS- b-PDMS) block … |
Cheng-Yen Chang ; Gkreti-Maria Manesi ; Apostolos Avgeropoulos ; Wei-En Wang ; Yu-Chueh Hung ; Rong-Ming Ho; |
| 661 | Microphase Separation of Particle-Forming AB/AC Diblock Copolymer Blends with Immiscible Core Blocks Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We synthesized asymmetric diblocks with poly(ethylene- alt-propylene) corona blocks and either poly(ethylene oxide) or poly(dimethylsiloxane) core segments and studied their blend morphologies using small-angle X-ray scattering (SAXS). |
Zachary Gdowski ; Samuel Swartzendruber ; Mahesh Mahanthappa ; Frank Bates; |
| 662 | Coarse-grained Models of Bottlebrush Polymers from Solutions to Melts Using A Wormlike Cylinder Model Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: The resulting ISC model was again modeled as a flexible WLCy as a function of different architectures. We describe how the interaction potential is derived in this ISC melts model using structural information. |
Haisu Kang ; Charles Sing; |
| 663 | Stable and Unstable Tiling Patterns Formed By ABC Miktoarm Star Triblock Terpolymers of Symmetric Interactions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Several discrepancies exist among previous self-consistent field calculations of symmetrically interacting ABC miktoarm star triblock terpolymers, in part due to the differences in their candidate phases and the possible numerical inaccuracies. Here we address this issue by including all known tiling patterns, as well as several lamellar-type phases known to bound the regions in the parameter space occupied by these patterns. |
Qiang Wang ; Cody Hawthorne ; Juntong He; |
| 664 | Influence of The Hydrophilic Corona Block on Drug Encapsulation During Polymerization Induced Self-assembly Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we investigate how the hydrophilic corona affects drug encapsulation in PISA PNPs. |
Guanrui Li ; Ralm Ricarte; |
| 665 | Two-Regime Conformation of Grafted Polymer on Nanoparticle Determines Symmetry of Nanoparticle Self-assembly Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk, the property of polymer conformation showing crossover behavior at the CPB/SDPB threshold through the coarse-grain molecular dynamics simulation of nanoparticles with explicit grafted chains will be discussed. |
Ji Woong Yu ; Hongseok Yun ; Won Bo Lee ; YongJoo Kim; |
| 666 | Structure and Composition Effects on The Magnetically-induced Ordering of Poloxamer Solutions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: This study shows magnetically-induced structure formation across 11 poloxamers of varying molecular weight and block composition. |
Grace Kresge ; Arit Das ; Christopher Neal ; Milena Mesfun ; Michelle Calabrese; |
| 667 | Catalan and Half-Catalan Numbers in Hyperbranched Polymers Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we explore the role of Catalan and Half-Catalan numbers in the context hyperbranched polymers synthesized through step polymerization. |
Pratyush Dayal ; Neeldhara Misra ; Surbhi Khewle; |
| 668 | Effect of Solvent Uptake on Morphology in TAPB-PDA COFs Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this presentation, results will be presented for experiments in which small-angle X-ray scattering (SAXS) has been used to monitor morphology of bulk TAPB-PDA COFs in situ as a function of saturation with ethanol or water, and subsequent characterization to determine changes to morphology after the ethanol or water removal. |
Frederick Beyer ; David McLeod ; Emil Sandoz-Rosado ; Eric Wetzel; |
| 669 | Parametrizing Conjugated Polymers As Ribbon-like Chains Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Here, we present a methodology to parametrize the RLC model using all-atom molecular dynamics (MD) simulations. |
Srikant Sagireddy ; Wesley Michaels ; Jian Qin; |
| 670 | Confinement of Semi-crystalline Bottlebrush Random Copolymers Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: Bottlebrush copolymers incorporating distinct segments feature unique architectures and variable composition, affording unique opportunities to manipulate self-assembly and phase … |
Xuchen Gan ; Hong-Gyu Seong ; Zhan Chen ; Mingqiu Hu ; Todd Emrick ; Thomas Russell; |
| 671 | Why Don’t Some Strongly Attracting Heteropolymers Phase Separate? Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: To investigate the sequence-dependent relationship between pairwise polymer interactions and phase behavior, we describe a simulation study of model heteropolymers that have identical second virial coefficients but divergent phase behaviors. |
Jessica Jin ; William Jacobs; |
| 672 | Two-step Transition in 2D Melting of Hard-Core Soft-Shell Colloidal Particles Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In our study, we explore the melting scenario of a 2D Hard-Core Soft-Shell particle system. |
Jihun Ahn ; Su-Mi Hur ; Abelardo Ramirez-Hernandez ; So Youn Kim ; Luis Adrian Padilla Salas ; Seok Joon Kwon; |
| 673 | Revealing The Impact of Semiflexibility and Solvent Ordering on Polyelectrolyte Phase Phenomena Using Polymer Field Theory Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We explore 3D theoretical phase diagrams that capture all charge-neutral mixtures for various asymmetric polyelectrolyte solutions. |
Michael Beckinghausen ; Andrew Spakowitz; |
| 674 | The Effects of Dynamic Binding on The Phase Behavior and Properties of Polymer Blends Undergoing Complex Coacervation Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this talk we present the results of a computational study focused on inducing LLPS using a combination of coacervation and dynamic binding. |
Zuzanna Jedlinska ; Robert Riggleman; |
| 675 | Salt-dependent Phase Behavior of Weak Polyelectrolyte Complexes Related Papers Related Patents Related Grants Related Venues Related Experts View Abstract: In mixtures of poly(diallyldimethylammonium chloride), a strong polycation, and poly(acrylic acid), a partially charged polyanion, within the pH range of 4.7–5.3, high-salt phase … |
Fujie Lan ; Huiling Li ; Ying Liu ; Mohsen Ghasemi ; Ronald Larson; |
| 676 | Phase Behavior and Chain Conformation of Assoicative Guanidinium-Containing Polyelectrolytes in Aqueous Media Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this study, a series of random copolyelectrolytes incorporating associative G (sticker) and non-associative ammonium (spacer) groups (G- ran-A) is employed with a various sticker fraction (0 ≤ f ≤ 1), while maintaining an overall positive charge. |
Seunghwan Oh ; SooHyung Choi; |
| 677 | Competitive Substitution of Charged Polymers and Trimer Formation: A Mean-Field Model Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We show that the invading chain must be sufficiently asymmetric compared to the chain being displaced to effect the substitution or form stable conformations. |
Souradeep Ghosh ; Arindam Kundagrami; |
| 678 | Molecular-weight-driven Partitioning in Polyelectrolyte Complexes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We investigate MW-driven partitioning by mixing polyanions of different MWs with homologous polycation. |
Jacob Horne ; Kayla Barker ; Junzhe Lou ; Jian Qin ; Yan Xia; |
| 679 | Role of Entropy and Enthalpy in The Complexation of A Pair of Oppositely Charged Asymmetric and Partially Ionized Polyelectrolytes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We present a framework for the complexation of two oppositely charged PEs of asymmetric lengths and partially ionized backbones, considering maximal ion pairing and general degrees of solvent polarity and dielectricity within an implicit solvent model, to explore the underlying thermodynamics. |
Soumik Mitra ; Souradeep Ghosh ; Arindam Kundagrami; |
| 680 | Divalent Cation Effects in Poly (diallyl Dimethylammonium)-Poly (styrene Sulfonate) Complexes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Ion-specific effects and the Hoffmeister series serve as central platforms for understanding physiochemical and biological phenomena observed in surfactants, enzyme activity, amino acids, and polyelectrolyte complexes (PECs). |
Tamunoemi Braide ; Suvesh lalwani ; Chikaodinaka Eneh ; Jodie Lutkenhaus; |
| 681 | Ion Correlation Induced Non-monotonic Height Change and Microphase Separation of Polyelectrolyte Brushes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We develop an electrostatic-fluctuation augmented self-consistent field theory (SCFT) which will be an important progress in modeling inhomogeneous polyelectrolyte systems. |
Rui Wang ; Chao Duan ; Takashi Yokokura ; Nikhil R. Agrawal; |
| 682 | Stabilization of Biomimetic Organic-Inorganic Polymeric Coacervates By Divalent Ions Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: In this work, we have investigated the effect of added multivalent salts on the interaction and stability of biomimetic inorganic-organic polymeric coacervates. |
Ali Hatami ; Yingxi Elaine Zhu ; Adithya Rathinasabapathy; |
| 683 | Molar Mass Dependence of Polyzwitterion Phase Separation Behavior and Dynamics Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We will discuss the molar mass scaling of the UCST behavior in aqueous solutions of poly(3-(acrylamidopropyl-dimethyl-ammonium) propyl-1-sulfonate) (pAPAPS) prepared by RAFT polymerization and aggregation that occurs prior to macroscopic phase separation through cloud point, dynamic light scattering, and small-angle x-ray scattering measurements. |
Vivek Prabhu ; Phillip Pickett ; Steven Hudson ; Paul Salipante; |
| 684 | Adsorption of PH Responsive Ampholytic Ions Into Weak Polyelectrolyte Brush: A Simulation Study Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Other studies on patchy protein attributes it to the attraction of oppositely charged patches on protein surfaces and a counterion release force. To corroborate these further, we employ an explicit ion based molecular dynamic simulations to study a two phase weak PE brush system in contact with a reservoir consisting pH-responsive ampholytic entities. |
Keerthi Radhakrishnan ; Christian Holm; |
| 685 | Coarse-Grained Explicit Solvent Molecular Dynamics Simulations of Polyzwitterion-Polyelectrolyte Complexes Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: We investigate solutions containing equal proportions of polyzwitterions (PZ) and polyanions (PA) across the dilute to semi-dilute solution concentration regimes using coarse-grained molecular dynamics simulations with explicit dipolar solvent. |
Jan-Michael Carrillo ; Panagiotis Christakopoulos ; Yangyang Wang ; Jong Keum ; Changwoo Do ; Alexis Williams ; Rajeev Kumar ; Bobby Sumpter; |
| 686 | Understanding The Confinement Dynamics in Polyzwitterion-salt Complexes Using Fast Scanning Calorimetry Related Papers Related Patents Related Grants Related Venues Related Experts View Highlight: Understanding the confinement dynamics in polyzwitterion-salt complexes using fast scanning calorimetry. |
John Thomas ; Abhishek Mondal ; Ashleigh Herrera ; Ayse Asatekin ; Peggy Cebe; |