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2013 MRS Fall Meeting Logo2013 MRS Fall Meeting & Exhibit

December 1-6, 2013 | Boston
Meeting Chairs: Charles Black, Elisabetta Comini, Gitti Frey, Kristi Kiick, Loucas Tsakalakos

Symposium A : Modeling and Theory-Driven Design of Soft Materials

2013-12-02   Show All Abstracts

Symposium Organizers

Meenakshi Dutt, Rutgers University
Yaroslava Yingling, North Carolina State University
Valeriy V. Ginzburg, The Dow Chemical Company
Mark Rodger, University of Warwick

Symposium Support

Dow Chemical Company
NSF DMR Biomaterials
A2: Membranes and Tissues
Session Chairs
Stefan Zauscher
Meenakshi Dutt
Monday PM, December 02, 2013
Sheraton, 2nd Floor, Independence W

2:30 AM - *A2.01
Multiscale Modeling of Phospholipid Bilayers: LIME/DMD Simulations

Emily Marie Curtis 1 Carol K Hall 1

1North Carolina State University Raleigh USA

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3:00 AM - A2.02
Transmembrane Nanoparticles: Thermodynamics and Kinetics

Reid C Van Lehn 1 Prabhani U Atukorale 2 Randy P Carney 3 Yu-Sang Yang 2 Francesco Stellacci 3 Darrell J Irvine 1 2 Alfredo Alexander-Katz 1

1MIT Cambridge USA2MIT Cambridge USA3EPFL Lausanne Switzerland

Show Abstract

3:15 AM - A2.03
Revisiting the Entropic Force between Fluctuating Lipid Bilayer Membranes

Yuranan Hanlumyuang 1 Liping Liu 2 Pradeep Sharma 1

1University of Houston Houston USA2Rutgers University Piscataway USA

Show Abstract

3:30 AM - A2.04
How to Make an Artificial Phagocyte Using a Lipid Vesicle and a Responsive Microgel

Alexander Alexeev 1 Katherine C. Polhemus 1 Ayuko Morikawa 1

1Georgia Institute of Technology Atlanta USA

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3:45 AM - A2.05
Computational Investigations on the Role of Molecular Architecture on Morphology, and Properties of Bio-inspired Soft Materials

Evan Koufos 1 2 Meenakshi Dutt 2

1Lehigh University Bethlehem USA2Rutgers University Piscataway USA

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4:00 AM - A2
Break

4:30 AM - *A2.06
Molecular Crystallization and Mesoscale Geometry of Multicomponent Ionic Membranes

Monica Olvera de la Cruz 1

1Northwestern University Evanston USA

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5:00 AM - A2.07
Modeling Driven Design of Multi-Component Nanostructured Soft Biomaterials

Fikret Aydin 1 Meenakshi Dutt 1

1Rutgers University Piscataway USA

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5:15 AM - A2.08
Composite Structural Mechanics of Dorsal Lamella in Remora Fish

Michael Culler 1 Jason H. Nadler 2

1Georgia Institute of Technology Altanta USA2Georgia Tech Research Institute Altanta USA

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5:30 AM - A2.09
Activated Pathways for the Directed Insertion of Patterned Nanoparticles into Polymeric Membranes

Christina Ting 1 Amalie Frischknecht 1

1Sandia National Laboratories Albuquerque USA

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5:45 AM - A2.10
Spreading and Superspreading of Droplets of Trisiloxane Surfactants and Their Aqueous Solutions on Soft Substrates

Rolf E. Isele-Holder 1 Ahmed E. Ismail 1

1RWTH Aachen University Aachen Germany

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A1: Bio-Inspired Materials
Session Chairs
Meenakshi Dutt
Melissa Pasquinelli
Monday AM, December 02, 2013
Sheraton, 2nd Floor, Independence W

9:30 AM - *A1.01
Designing DNA-Grafted Particles that Self-Assemble into Desired Crystalline Structures Using the Genetic Algorithm

Sanat Kumar 1

1Columbia University New York USA

Show Abstract

10:00 AM - A1.02
Plasmon-Controlled Light-Harvesting: Design Rules for Biohybrid Devices via Multiscale Modeling

Oliviero Andreussi 1 Alessandro Biancardi 1 Stefano Corni 2 Benedetta Mennucci 1

1University of Pisa Pisa Italy2CNR-Istituto Nanoscienze Modena Italy

Show Abstract

10:15 AM - A1.03
Peptide Sampling and Surface Interactions at Aqueous Titania Interface Using Replica Exchange with Solute Tempering Molecular Dynamics

Anas Sultan 1 Zak Hughes 1 J. Pablo Palafox-Hernandez 1 Tiffany Walsh 1

1Institute for Frontier Materials, Deakin University Geelong Australia

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10:30 AM - A1.04
Atomistic Simulations of Self Assembly Monolayers on Au Surface Under Realistic Conditions

Huachuan Wang 1 Yongsheng Leng 1

1George Washington University Washington USA

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10:45 AM - A1.05
Towards An Atomistic Understanding of Binding Principles for Gold-Binding Peptides

J. Pablo Palafox-Hernandez 1 Tiffany R Walsh 1

1Institute for Frontier Materials, Deakin University Waurn Ponds Australia

Show Abstract

11:00 AM - A1
BREAK

11:30 AM - *A1.06
Enzyme Catalyzed Polymerization of DNA Amphiphiles and Their Self-Assembly into Star-like Micelles

Lei Tang 1 Yaroslava Yingling 3 Ashutosh Chilkoti 2 Stefan Zauscher 1

1Duke University Durham USA2Duke University Durham USA3North Carolina State University Raleigh USA

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12:00 PM - A1.07
Understanding the Entropic Effects of Polymer Conjugation on Peptide Assembly and Ordering

Luis Ruiz 1 Sinan Keten 1

1Northwestern University Evanston USA

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12:15 PM - A1.08
Ionic Aggregate Morphologies in Precise Ionomers

Dan S. Bolintineanu 1 C. Francisco Buitrago 2 Mark J. Stevens 1 Karen I. Winey 2 Amalie L. Frischknecht 1

1Sandia National Laboratories Albuquerque USA2University of Pennsylvania Philadelphia USA

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12:30 PM - A1.09
Optical Properties and van der Waals-London Dispersion Interactions in Inorganic and Biomolecular Assemblies

Yingfang Ma 1 Daniel M. Dryden 1 Diana Mercedes Acosta 2 Lijia Liu 3 Lin DeNoyer 4 Wai-Yim Ching 5 Nicole F. Steinmetz 2 6 1 Rudolf Podgornik 7 8 9 Roger H. French 1 V. Adrian Parsegian 9

1Case Western Reserve University Cleveland USA2Case Western Reserve University Cleveland USA3Case Western Reserve University Cleveland USA4Spectrum Square Associates Inc. Ithaca USA5University of Missouri-Kansas City Kansas City USA6Case Western Reserve University Cleveland USA7University of Ljubljana Ljubljana Slovenia8J. Stefan Institute Ljubljana Slovenia9University of Massachusetts Amherst Amherst USA

Show Abstract

12:45 PM - A1.10
Interactions of Nanoparticles with DNA: Interplay of Sequence, Ligands Charge and Concentration

Abhishek Singh 1 Nan Li 1 Jessica Nash 1 Yaroslava G Yingling 1

1NC State University Raleigh USA

Show Abstract

2013-12-03   Show All Abstracts

Symposium Organizers

Meenakshi Dutt, Rutgers University
Yaroslava Yingling, North Carolina State University
Valeriy V. Ginzburg, The Dow Chemical Company
Mark Rodger, University of Warwick

Symposium Support

Dow Chemical Company
NSF DMR Biomaterials
A4: Elastomers, Gels and Liquid Crystals
Session Chairs
Valeriy V. Ginzburg
Alexander Alexeev
Tuesday PM, December 03, 2013
Sheraton, 2nd Floor, Independence W

2:30 AM - *A4.01
Strain Recovery and Self-Healing in Dual Cross-Linked Nanoparticle Networks

Balaji V. S. Iyer 1 Victor V. Yashin 1 Tomasz Kowalewski 2 Krzysztof Matyjaszewski 2 Anna C. Balazs 1

1University of Pittsburgh Pittsburgh USA2Carnegie Mellon University Pittsburgh USA

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3:00 AM - A4.02
Nano Scale Structure and Mechanical Properties of Hydrogels

Hossein Salahshoor 1 Nima Rahbar 1

1Worcester Polytechnic Institute Worcester USA

Show Abstract

3:15 AM - A4.03
Model of Hybrid Crosslink Single Polymer Network Hydrogels

Josef Jancar 1 Jan Zidek 1 Andrey Milchev 2 Thomas A. Vilgis 3

1Brno University of Technology Brno Czech Republic2Brno University of Technology Brno Czech Republic3BAS Sofia Bulgaria

Show Abstract

3:30 AM - A4.04
Revealing a New Molecular Subunit That Leads to Giant Reversible Thermal Contraction

Jennifer Lu 1 XingYuan Shen 1 Christopher Viney 1 Erin Johnson 1

1University of California at Merced Merced USA

Show Abstract

3:45 AM - A4.05
Molecular Modeling of Liquid Crystal Elastomers

Gregor Skacej 1 2 Claudio Zannoni 3

1University of Ljubljana, Faculty of Mathematics and Physics Ljubljana Slovenia2NAMASTE Center of Excellence Ljubljana Slovenia3University of Bologna Bologna Italy

Show Abstract

4:00 AM - A4
Break

4:30 AM - A4.06
A Multiscale Finite Element Analysis Approach towards the Design of Tissue Simulant Materials

Roza Mahmoodian 1 Krystyn Van Vliet 1

1MIT Cambridge USA

Show Abstract

4:45 AM - A4.07
Hydrogels as a Barrier against Pathogens

Polina Pine 1 Gabriel S Longo 2 Igal Szleifer 3

1Northwestern University Evanston USA2Northwestern University Evanston USA3Northwestern University Evanston USA

Show Abstract

5:00 AM - A4.08
Thermotropic Liquid Crystalline Side Chain Elastomers

David Thomas 1 Matthew Cardarelli 1 Peggy Cebe 1 Badel Mbanga 1 Timothy Atherton 1 Antoni Sanchez-Ferrer 2

1Tufts University Medford USA2Swiss Federal Institute of Technology Zurich Switzerland

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5:15 AM - A4.09
Building Blocks of Disclination Networks in Nematic Colloids

Simon Copar 1 2 Slobodan Zumer 1 3

1University of Ljubljana Ljubljana Slovenia2University of Pennsylvania Philadelphia USA3Jozef Stefan Institute Ljubljana Slovenia

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5:30 AM - A4.10
Elastic Wave Propagation and Instabilities in Hyperelastic Layered Media Undergoing Finite Deformations

Stephan Rudykh 1 Mary C. Boyce 1

1Massachusetts Institute of Technology Cambridge USA

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A3: Polymer Nanocomposites
Session Chairs
Yaroslava Yingling
Amalie Frischknecht
Tuesday AM, December 03, 2013
Sheraton, 2nd Floor, Independence W

9:30 AM - *A3.01
Mobility of Nano-Particles in Associative Polymeric Networks

Paul Takhistov 1 Phong Huynh 1

1Rutgers University New Brunswick USA

Show Abstract

10:00 AM - A3.02
Dynamics of Dual-Crosslinked Polymer Grafted Nanoparticle Networks under Oscillatory Shear

Balaji Iyer Vaidyanathan Shantha 1 Victor Yashin 1 Tomasz Kowalewski 2 Krzysztof Matyjaszewski 2 Anna Balazs 1

1University of Pittsburgh Pittsburgh USA2Carnegie Mellon University Pittsburgh USA

Show Abstract

10:15 AM - A3.03
Molecular Dynamics Simulations of Polyimide-Carbon Nanotube Nanocomposites

Qian Jiang 1 Syamal S Tallury 2 3 Yiping Qiu 1 Melissa A Pasquinelli 2

1Donghua University Shanghai China2North Carolina State University Raleigh USA3North Carolina State University Raleigh USA

Show Abstract

10:30 AM - A3.04
Transferable Potentials for Multiscale Polymer Simulations

Nico van der Vegt 1 Emiliano Brini 1 Valentina Marcon 1

1Darmstadt University of Technology Darmstadt Germany

Show Abstract

10:45 AM - A3.05
Meso-Scale Simulations of Poly(N-isopropylacrylamide) Grafted Architectures

Derrick C Mancini 1 Sanket Deshmukh 2 Subramanian K.R.S. Sankaranarayanan 2 Ganesh Kamath 3

1Argonne National Laboratory Argonne USA2Argonne National Laboratory Argonne USA3University of Missouri Columbia Columbia USA

Show Abstract

11:00 AM - A3
Break

11:30 AM - *A3.06
Compliant and Reconfigurable Nanocomposites: Fabrication, Testing, and Simulations

Vladimir Tsukruk 2 Alex Alexeev 1

1Georgia Institute of Technology Atlanta USA2Georgia Institute of Technology Atlanta USA

Show Abstract

12:00 PM - A3.07
When Are Hierarchical Stochastic Microstructures Desirable?

Catalin Picu 1 Zhi Li 1 Monica Soare 2 Dan Constantinescu 3 Stefan Sorohan 3

1Rensselaer Polytechnic Institute Troy USA2General Electric Global Research Niskayuna USA3University Politehnica Bucharest Bucharest Romania

Show Abstract

12:15 PM - A3.08
Computational Design of Stimuli-Responsive Graphene/Epoxy Bi-layers

Chunyu Li 1 2 Alejandro Strachan 1 2

1Purdue University West Lafayette USA2Purdue University West Lafayette USA

Show Abstract

12:30 PM - A3.09
Effects of Polydispersity in Graft and Matrix Polymer on the Morphology of Composites Comprising Polymer Grafted Nanoparticles in a Polymer Matrix: A Theory and Simulation Study

Arthi Jayaraman 1 Tyler B. Martin 1

1University of Colorado at Boulder Boulder USA

Show Abstract

12:45 PM - A3.10
Mechanistic Investigation of Shear Load Transfer between Dissimilar Tablets

Rouzbeh Shahsavari 1

1Rice University Houston USA

Show Abstract

2013-12-04   Show All Abstracts

Symposium Organizers

Meenakshi Dutt, Rutgers University
Yaroslava Yingling, North Carolina State University
Valeriy V. Ginzburg, The Dow Chemical Company
Mark Rodger, University of Warwick

Symposium Support

Dow Chemical Company
NSF DMR Biomaterials
A6: Nanoparticles, Colloids and Surface Science
Session Chairs
Mark Rodger
Lisa Hall
Wednesday PM, December 04, 2013
Sheraton, 2nd Floor, Independence W

2:30 AM - *A6.01
Assessment of Mesoscopic Methods for Simulation of Complex Fluids in Microfluidic Geometries

Ronald Larson 1 Tongyang Zhao 2 1 Lei Jiang 1

1Univ. of Michigan Ann Arbor USA2Tsinghua University Beijing China

Show Abstract

3:00 AM - A6.02
Using Molecular Simulations to Link Chemical and Physical Features of Conjugated Polymers and Fullerene Derivatives to Bulk Heterojunction Morphology for Organic Photovoltaics

Hilary Marsh 1 Eric Jankowski 1 Arthi Jayaraman 1

1University of Colorado at Boulder Boulder USA

Show Abstract

3:15 AM - A6.03
Modeling Polymer-Grafted Nanoparticle Networks Reinforced by Strong Chains

Matthew James Hamer 1 Balaji V S Iyer 1 Victor V Yashin 1 Tomasz Kowalewski 2 Krzysztof Matyjaszewski 2 Anna C Balazs 1

1University of Pittsburgh Pittsburgh USA2Carnegie Mellon University Pittsburgh USA

Show Abstract

3:30 AM - A6.04
Computer Simulations of Metal Ion Adsorption onto Surfaces Grafted with Dendrimers

Leebyn Chong 1 Meenakshi Dutt 1

1Rutgers University Piscataway USA

Show Abstract

3:45 AM - A6.05
Structure, Dynamics and Primitive Path Network of Polymer Nanocomposites Containing Spherical Nanoparticles

Argyrios Karatrantos 1 Nigel Clarke 1 Russel J. Composto 2 Karen I. Winey 2

1University of Sheffield Sheffield United Kingdom2University of Pennsylvania Philadelphia USA

Show Abstract

4:00 AM - A6
Break

4:30 AM - *A6.06
Functional Droplets for Nanoparticle Pickup

Todd Emrick 1

1University of Massachusetts Amherst USA

Show Abstract

5:00 AM - A6.07
The Fluctuating Lattice Boltzmann Method for Non-Ideal Fluids: Theory and Application

Fathollah Varnik 1 Markus Gross 1

1Ruhr University Bochum Bochum Germany

Show Abstract

5:15 AM - A6.08
Complex Crystal Structures in Tethered Nanoparticle Telechelics

Ryan Marson 1 Carolyn L. Phillips 2 Joshua A. Anderson 3 Sharon C. Glotzer 3 1

1University of Michigan Ann Arbor USA2University of Michigan Ann Arbor USA3University of Michigan Ann Arbor USA

Show Abstract

5:30 AM - A6.09
Targeted Lipid Bilayer Deformation by Insertion of Monolayer-Protected Gold Nanoparticles

Reid C Van Lehn 1 Alfredo Alexander-Katz 1

1MIT Cambridge USA

Show Abstract

5:45 AM - A6.10
Computational Study on Cluster Formation of Colloidal Nanoparticles: A Kinetic Monte Carlo Simulation and Rate Theory Modeling on Scaling Behaviors of Clusters

Seok Joon Kwon 1 T. Alan Hatton 2

1MIT/KIST Cambridge USA2MIT Cambridge USA

Show Abstract

A5: Biopolymers: Proteins, Peptides and Nucleic Acids
Session Chairs
Yaroslava Yingling
Alfredo Alexander-Katz
Wednesday AM, December 04, 2013
Sheraton, 2nd Floor, Independence W

9:30 AM - *A5.01
Single-Molecule Electro-Osmotic Devices: Pistons and Tweezers

Michael Rubinstein 1 Yanqian Wang 1 Sergey Panyukov 2 Jinsheng Zhou 1 Laurent D. Menard 1 John Michael Ramsey 1

1University of North Carolina Chapel Hill USA2Russian Academy of Sciences Moscow Russian Federation

Show Abstract

10:00 AM - A5.02
On the Continuity of States between DNA-Ordering Transitions in Mono- and Multi-Valent Salt Solutions

Selcuk Yasar 1 Rudolf Podgornik 1 Vozken Adrian Parsegian 1

1University of Massachusetts Amherst USA

Show Abstract

10:15 AM - A5.03
Computational and Experimental Observations of the Cellulose Dissolution Mechanism in Ionic Liquids

Brooks D. Rabideau 1 2 3 Animesh Agarwal 1 Joern Viell 1 2 Ahmed E. Ismail 1 2 3

1RWTH Aachen University Aachen Germany2RWTH Aachen Univ. Aachen Germany3RWTH Aachen University Aachen Germany

Show Abstract

10:30 AM - A5.04
Molecular Dynamics Studies Reveal Mutable Inverse Temperature Transition in Silk-Elastin-like Protein Polymers

Anna Tarakanova 1 Wenwen Huang 2 David L. Kaplan 2 Markus J. Buehler 1

1MIT Cambridge USA2Tufts University Medford USA

Show Abstract

10:45 AM - A5
A5.05 TRANSFERRED TO A8.03

Show Abstract

11:00 AM - A5
Break

11:30 AM - *A5.06
Surface Dynamics of Self-Assembling Engineered Dodecapeptides on Graphene

Mehmet Sarikaya 1 Sefa Dag 1

1University of Washington Seattle USA

Show Abstract

12:00 PM - A5.07
Understanding Molecular Mechanisms of Size Control of Peptide Directed Palladium Nanocrystals and Catalytic Activity in Coupling Reactions

Hadi Ramezani-Dakhel 1 Marc R. Knecht 2 Rajesh R. Naik 3 Rajiv J. Berry 3 Peter A. Mirau 3 Hendrik Heinz 1

1The University of Akron Akron USA2University of Miami Coral Gables USA3Air Force Research Laboratory Dayton USA

Show Abstract

12:15 PM - A5.08
Development and Validation of a Polarizable Bio-Interfacial Force-Field for Aqueous Silver Interfaces

Zak E Hughes 1 Louise B Wright 2 Tiffany R Walsh 1

1Deakin University Geelong Australia2Warwick University Coventry United Kingdom

Show Abstract

12:30 PM - A5.09
Solution Structure of the Intrinsically Disordered Peptide n16N, Using Replica Exchange Molecular Dynamics

Aaron Hugh Brown 1 2 Mark Rodger 2 Tiffany R Walsh 2

1University of Warwick Coventry United Kingdom2Deakin University Geelong Australia

Show Abstract

12:45 PM - A5.10
Design and Characterization of Multi-Component Nanostructured Biomaterials

Meenakshi Dutt 1

1Rutgers The State University of New Jersey Piscataway USA

Show Abstract

2013-12-05   Show All Abstracts

Symposium Organizers

Meenakshi Dutt, Rutgers University
Yaroslava Yingling, North Carolina State University
Valeriy V. Ginzburg, The Dow Chemical Company
Mark Rodger, University of Warwick

Symposium Support

Dow Chemical Company
NSF DMR Biomaterials
A8: Self-Assembly of Soft Materials
Session Chairs
Mark Rodger
Sinan Keten
Thursday PM, December 05, 2013
Sheraton, 2nd Floor, Independence W

3:00 AM - A8.02
Modeling the Nonequilibrium Assembly of Sequence-Specific Polymers into Complex Structures with a Novel Coarse-Grained Modeling Approach

Thomas K Haxton 1 Ranjan Mannige 1 Ronald N Zuckermann 1 Stephen Whitelam 1

1Lawrence Berkeley National Laboratory Berkeley USA

Show Abstract

3:15 AM - A8.03
Secondary Structure Transitions in Spider Silk: A Simulation Approach

Tristan Giesa 1 Carole C. Perry 2 Markus J. Buehler 1

1MIT Cambridge USA2Nottingham Trent University Nottingham United Kingdom

Show Abstract

3:30 AM - A8.04
Assembly of Collagen on Surfaces: Insights From Molecular Dynamics Simulations

Badri Narayanan 1 George H Gilmer 2 Jim J De Yoreo 3 Cristian V Ciobanu 2

1Colorado School of Mines Golden USA2Colorado School of Mines Golden USA3Pacific Northwest National Laboratory Richland USA

Show Abstract

3:45 AM - A8.05
The Effect of Temperature on the Self-Assembly Properties of the Elastin-like Peptide (VPGVG)n and (VGPVG)n

Nan Li 1 Yaroslava G. Yingling 1

1North Carolina State University Raleigh USA

Show Abstract

4:00 AM - A8
Break

4:30 AM - A8.06
Crystal Nucleation and Growth in a Melt of Short Semiflexible Chains

Bart Vorselaars 1 David Quigley 1

1University of Warwick Coventry United Kingdom

Show Abstract

4:45 AM - A8.07
Computationally Driven Design of Solvent-Based Fabrication of Polymer Blend Thin Films: Unraveling Origins of Various Modes of Morphology Initiation

Olga Wodo 1 Baskar Ganapathysubramanian 1

1Iowa State University Ames USA

Show Abstract

5:00 AM - A8.08
Modeling Liquid Crystalline Mesophases in Melts of Homopolymers with Thiophene-Based Backbones

Patrick Gemuenden 1 2 Carl Poelking 1 Kurt Kremer 1 Denis Andrienko 1 Kostas Daoulas 1 2

1Max Planck Institute for Polymer Research Mainz Germany2InnovationLab GmbH Heidelberg Germany

Show Abstract

5:15 AM - A8.09
Coarse-Grained Model for Phase Behavior in Thermodynamically Small Assemblies

Ray M Sehgal 1 David M Ford 1 Dimitrios Maroudas 1

1University of Massachusetts Amherst Amherst USA

Show Abstract

5:30 AM - A8.10
Effect of Size Polydispersity on Phase Equilibria of Lennard-Jones Systems

Yayoi Terada 1 Thomas Keyes 2 Jaegil Kim 2

1Institute for Materials Research, Tohoku University Sendai Japan2Boston University Boston USA

Show Abstract

5:45 AM - A8.11
Theoretical and Empirical Derivation of Dielectric Constant in a Nanoparticle Colloidal System: Application in Drug Solubility

Jhalique Jane Rebagay Fojas 1 2 Nazila Kamaly 2 Omid Farokhzad 2

1University of the Philippines Quezon City Philippines2Harvard Medical School- Brigham and Women's Hospital Boston USA

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A9: Poster Session
Session Chairs
Thursday PM, December 05, 2013
Hynes, Level 1, Hall B

9:00 AM - A9.01
Design and Synthesis of a Zero-Zero-Birefringence Polymer in a System Containing N-Methyl Malemide for Liquid Crystal Displays

Shotaro Beppu 1 2 Shuhei Iwasaki 1 2 Houran Shafiee 1 2 Akihiro Tagaya 1 2 Yasuhiro Koike 1 2

1Keio University Yokohama Japan2Keio Photonics Research Institute Kawasaki Japan

Show Abstract

9:00 AM - A9.02
Theoretical and Computational Modeling of Complex Aggregated Nanoparticles in Soft Matrices

Jeffrey Geldmeier 1 Tobias Koenig 1 Ren Geryak 1 Vladimir V. Tsukruk 1

1Georgia Institute of Technology Atlanta USA

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9:00 AM - A9.03
Controlled Topography Change of Subdiffraction Structures Based on Photosensitive Polymer Films Induced by Surface Plasmon Polaritons

Tobias Koenig 1 2 Jeffrey Geldmeier 1 Svetlana Santer 2 Vladimir Tsukruk 1

1Georgia Institute of Technology Atlanta USA2University of Potsdam Potsdam Germany

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9:00 AM - A9.04
Magnetic Properties of Langmuir-Blodgett Films Composed of Stable pi;-Monoradicals

Nedko Drebov 1

1Fraunhofer IWM Freiburg Germany

Show Abstract

9:00 AM - A9.05
Atomistic Modeling of a DNA-Hairpin at the Aqueous Au(111) Interface

Kurt Laurence Murray Drew 1 Jesus Pablo Palafox-Hernandez 1 Tiffany R. Walsh 1

1Deakin University Geelong Australia

Show Abstract

9:00 AM - A9.07
Density Functional Study of 4-Hydroxy-N-Desmethyl-Tamoxifen

Jorge Alejandro Tapia 1 Cesar Cab 1 Ruben Medina-Esquivel 1 Gabriel Canto 2

1Universidad Autonoma de Yucatan Merida Mexico2Universidad Autonoma de Campeche Campeche Mexico

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9:00 AM - A9.08
Environment-Dependent Conformational Switching in a Designed Peptide: A Molecular Dynamics Study

Andrew Church 1 Tiffany Walsh 1

1Deakin University Highton Australia

Show Abstract

9:00 AM - A9.09
Evolutionary Search for the Crystal Structures of Novel Polymeric Capacitor Dielectrics

Vinit Sharma 1 Chenchen Wang 1 Qiang Zhu 2 Daniel W. Sinkovits 3 Artem R. Oganov 2 Gregory A. Sotzing 4 Sanat Kumar 3 Ramamurthy Ramprasad 1

1University of Connecticut Storrs USA2Stony Brook University Stony Brook USA3Columbia University New York USA4University of Connecticut Storrs USA

Show Abstract

9:00 AM - A9.10
Effect of Network Structure From Different Processing Conditions on the Mechanical Property of Semi-Crystalline Polymers

Xin Dong 1 David McDowell 2 1 Karl Jacob 1 2

1Georgia Institute of Technology Atlanta USA2Georgia Institute of Technology Atlanta USA

Show Abstract

9:00 AM - A9.11
Cellular Automata Simulations of Thermal and Electrical Transport Properties of Thin-Film Polymer/CNTs Nanocomposites for Improved Design

Parvathalu Kalakonda 1 Alex Casey 2 Hyunseung Lee 2 Johanna Thomson 2 Peggy Cebe 3 Germano Iannacchione 1 Georgi Georgiev 1 2 3

1Worcester Polytechnic Institute Worcester USA2Assumption College Worcester USA3Tufts University Medford USA

Show Abstract

9:00 AM - A9.12
Soft Elastomeric Actuators with Fiber Reinforcement

Panagiotis Polygerinos 1 2 Zheng Wang 1 2 Kevin Galloway 2 Bas Overvelde 1 Robert Wood 1 2 Katia Bertoldi 1 Conor Walsh 1 2

1Harvard University Cambridge USA2Wyss Institute for Biologically Inspired Engineering Cambridge USA

Show Abstract

9:00 AM - A9.13
Molecular Simulations of Nanoparticle Interactions with Single Stranded DNA

Jessica Ann Nash 1 Tasha L. Tucker. 1 Yaroslava G. Yingling 1

1North Carolina State University Raleigh USA

Show Abstract

9:00 AM - A9.14
Polymer Microneedle Design and Analysis Using FEM

Crisostomo Maximiano Ramos 1 Laith Hurmez 1 Ahmed Al-Jumaily 1

1AUT University Auckland New Zealand

Show Abstract

9:00 AM - A9.16
Study of Ligand Impact on PbS Quantum Dot Absorption by First Principles Calculation

Dong-Ho Kim 1 2 Donghun Kim 2 Jeffrey C. Grossman 2

1Samsung Advanced Institute of Technology Cambridge USA2Massachusetts Institute of Technology Cambridge USA

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9:00 AM - A9.17
Molecular Simulation of a Polyamide Reverse Osmosis Desalination Membrane

Zak E Hughes 1 Julian D Gale 2

1Deakin University Geelong Australia2Curtin University Perth Australia

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9:00 AM - A9.18
Dielectric Permittivity Enhancement in Functionalized Polyolefins

Arun Kumar Mannodi-Kanakkithodi 1 Chenchen C Wang 1 Mayank Misra 2 Ramamurthy Ramprasad 1

1University of Connecticut Storrs USA2Columbia University New York USA

Show Abstract

9:00 AM - A9.19
Creating Equilibrated Configurations of High Molecular Weight Polymer Melts: A Hierarchical Strategy

Guojie Zhang 1 Livia Moreira 1 Torsten Stuehn 1 Kostas Daoulas 1 2 Kurt Kremer 1

1Max Planck Institute for Polymer Research Mainz Germany2InnovationLab GmbH Heidelberg Germany

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9:00 AM - A9.20
Efficient, Accurate, and Reactive Potentials for the Simulation of Water Based on Artificial Neural Networks

Tobias Morawietz 1 Joerg Behler 1

1Ruhr-Universitamp;#228;t Bochum Bochum Germany

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9:00 AM - A9.21
Computational Studies of Drying and Dissolution of Polymer Films

Vidyalakshmi Muthukumar 1 Sang Yun Lee 1 Paul Takhistov 1 Meenakshi Dutt 1

1Rutgers University New Brunswick USA

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9:00 AM - A9.24
Piezoelectricity of Symmetry-Broken Two-Dimensional Layered Materials

Young-Han Shin 1 Hye-Jung Kim 1 Noor-A-Alam Md. 1 Hoe Cheol Song 1

1University of Ulsan Ulsan Republic of Korea

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9:00 AM - A9.25
In-Situ Rapid Thermal Annealing of PVDF Films during Spin Coating for Enhanced Film Quality

Noel Mayur Dawson 1 3 Phillip Atencio 1 3 Kevin J Malloy 1 2 3

1University of New Mexico Albuquerque USA2University of New Mexico Albuquerque USA3Center of High Technology Materials Albuquerque USA

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9:00 AM - A9.26
Mechanical Pproperties of Cellulose Nanocrystals Predicted by Molecular Dynamics Simulation

Xiawa Wu 1 Robert Moon 2 3 4 Ashlie Martini 5

1Purdue University West Lafayette USA2US Forest Service Madison USA3Purdue University West Lafayette USA4Purdue University West Lafayette USA5University of California Merced Merced USA

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9:00 AM - A9.28
Optical and Vibrational Properties of Carbon Nanotubes Interacting with Saturated Fatty Acids

Jose Renato Alves da Cunha 1 2 Cristiano Fantini 3 Nadia Andrade 4 Petrus Alcantara 2 Gilberto Saraiva 5 Antonio Gomes Souza Filho 4 Maria Cristina dos Santos 1 6 Mauricio Terrones 1

1Penn State University State College USA2Universidade Federal do Para Belem Brazil3Universidade Federal de Minas Gerais Belo Horizonte Brazil4Universidade Federal do Cearamp;#225; Fortaleza Brazil5Universidade Estadual do Cearamp;#225; Quixadamp;#225; Brazil6Universidade de Samp;#227;o Paulo Samp;#227;o Paulo Brazil

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9:00 AM - A9.29
Density Function Theory Calculations of Novel Organic Sensitizers for Dye-Sensitized Solar Cells

KwangWon Park 1 Kyungwon Kwak 1 Kang Min Ok 1 Jongin Hong 1

1Chung-Ang University Seoul Republic of Korea

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9:00 AM - A9
A9.27 TRANSFERRED TO A7.02

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9:00 AM - A9
A9.22 TRANSFERRED TO A6.03

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9:00 AM - A9
A9.15 TRANSFERRED TO A7.08

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9:00 AM - A9
A9.06 TRANSFERRED TO A6.09

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A7: Polymers for Electronic Applications
Session Chairs
Valeriy V. Ginzburg
Peter Trefonas
Thursday AM, December 05, 2013
Sheraton, 2nd Floor, Independence W

9:30 AM - *A7.01
Theoretically Informed Coarse-Grained Models for Mesoscale Materials Design

Juan de Pablo 1

1University of Chicago Chicago USA

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10:00 AM - A7.02
Phase Behavior of Model Tapered Diblock Copolymers

Jonathan R Brown 1 Scott W Sides 2 Lisa M Hall 1

1The Ohio State University Columbus USA2National Renewable Energy Laboratory Golden USA

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10:15 AM - A7.03
Exploring the Solution Space of Directed Self-Assembly Templates for Block Copolymer Nanolithography through Inverse Self-Consistent Field Theory Simulations

Adam Floyd Hannon 1 Caroline Anne Ross 1 Alfredo Alexander-Katz 1

1MIT Cambridge USA

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10:30 AM - A7.04
Microdomain Identification and Network Formation in ABA Triblock Copolymer Melts from Dissipative Particle Dynamics Simulations

Syamal S Tallury 1 2 Richard J. Spontak 2 3 Melissa A Pasquinelli 1

1North Carolina State University Raleigh USA2North Carolina State University Raleigh USA3North Carolina State University Raleigh USA

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10:45 AM - A7.05
Combining Physical Resist Modeling and Self-Consistent Field Theory for Pattern Simulation in Directed Self-Assembly

Valeriy V Ginzburg 1 Peter Trefonas 2 Michael Reilly 2 Mark D Smith 3

1The Dow Chemical Company Midland USA2Dow Electronic Materials Marlborough USA3KLA-Tencor Austin USA

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11:00 AM - A7
Break

11:30 AM - *A7.06
Transport of Ions and Penetrants through Structured Polymeric Matrices: Interplay of Structure and Dynamics of Polymers

Venkat Ganesan 1

1The University of Texas at Austin Austin USA

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12:00 PM - A7.07
Correlation between Ion Arrangement and Conductivity in Polymer Electrolytes

Kan-Ju Lin 1 2 Janna K Maranas 2

1Massachusetts Institute of Technology Cambridge USA2Penn State University University Park USA

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12:15 PM - A7.08
Optical Bandgap Materials Design for Bulk Heterojunction Solar Cells

Xi Lin 1 Yongwoo Shin 1

1Boston University Boston USA

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