Theory and Simulation III

Presentations

• Conformational Study of Di-Substituted \textit{para-polyphenyleneethylene} (PPE) in Dilute Solutions

  ORAL

  March 19, 2009, 11:15 AM – March 19, 2009, 11:27 AM

  Authors

  • Sabina Maskey

    • Clemson University

  • Flint Pierce

    • Clemson University

  • Dvora Perahia

    • Clemson University
    • Department of Chemistry, Clemson University, Clemson, SC 29634

  • Gary S. Grest

    • Sandia National Laboratories
    • Sandia National Lab
    • Sandia National Labs

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• Crystal and Rotator Phases of n-alkanes: a Molecular Dynamics Study

  ORAL

  March 19, 2009, 11:27 AM – March 19, 2009, 11:39 AM

  Authors

  • Nathaniel Wentzel

    • Pennsylvania State University

  • Scott T. Milner

    • Pennsylvania State University

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• Computational Modeling of Polymers and the Influence of Molecular Level Structural Features on Mechanical Properties

  ORAL

  March 19, 2009, 11:39 AM – March 19, 2009, 11:51 AM

  Authors

  • Thomas Clancy

    • National Institute of Aerospace

  • Sarah-Jane Frankland

    • National Institute of Aerospace

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• Hydrogen Bonding Structure in Hyperbranched Aliphatic Polyesters Studied by MD Simulations

  ORAL

  March 19, 2009, 11:51 AM – March 19, 2009, 12:03 PM

  Authors

  • Brian Olson

    • University of Southern Mississippi

  • Mukul Kaushik

    • University of Southern Mississippi

  • Sergei Nazarenko

    • University of Southern Mississippi

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• Phases of functionalized polymer-inorganic composites in solution studied via molecular dynamics

  ORAL

  March 19, 2009, 12:03 PM – March 19, 2009, 12:15 PM

  Authors

  • Joshua Anderson

    • Iowa State University and Ames Laboratory

  • Rastko Sknepnek

    • Iowa State University and Ames Laboratory
    • Ames Laboratory and Department of Physics and Astronomy, Iowa State University

  • Alex Travesset

    • Iowa State University and Ames Laboratory
    • Iowa State University and Ames Lab

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• The effect of chain stiffness on the structure and phase behavior of diblock copolymer melts

  ORAL

  March 19, 2009, 12:15 PM – March 19, 2009, 12:27 PM

  Authors

  • G. Leuty

    • Southern Illinois University at Carbondale

  • Mesfin Tsige

    • Southern Illinois University at Carbondale
    • Southern Illinois University

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• Rigidity transition with increasing crosslinking of a single macromolecule

  ORAL

  March 19, 2009, 12:27 PM – March 19, 2009, 12:39 PM

  Authors

  • Jiwu Liu

    • Michigan State University

  • Phillip Duxbury

    • Michigan State University

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• Spreading of Droplets on Viscous Polymer Liquids

  ORAL

  March 19, 2009, 12:39 PM – March 19, 2009, 12:51 PM

  Authors

  • Flint Pierce

    • Clemson University

  • Dvora Perahia

    • Clemson University

  • Gary S. Grest

    • Sandia National Laboratories
    • Sandia National Lab
    • Sandia National Labs

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• Shear rate threshold for the onset of boundary slip in dense polymer films

  ORAL

  March 19, 2009, 12:51 PM – March 19, 2009, 1:03 PM

  Authors

  • Nikolai Priezjev

    • Michigan State University
    • Michigan State Univesity

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• Direct Numerical Evaluation of Plateau Modulus of Entangled Polymer Melts via Multi-Scale Molecular Dynamics(MD)

  ORAL

  March 19, 2009, 1:03 PM – March 19, 2009, 1:15 PM

  Authors

  • Won Bo Lee

    • Max-Planck Institute for Polymer Research

  • Kurt Kremer

    • Max Planck Institute for Polymer Research
    • Max-Planck Institute for Polymer Research

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• Cole-Davidson Glassy Dynamics in Simple Chain Models

  ORAL

  March 19, 2009, 1:15 PM – March 19, 2009, 1:27 PM

  Authors

  • John McCoy

    • New Mexico Tech

  • Joanne Budzien

    • Sandia National Labs

  • Taylor Dotson

    • New Mexico Tech

  • Douglas Adolf

    • Sandia National Labs

  • Jonathan Brown

    • New Mexico Tech

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• Glass transition temperature of PIB, PDMS and PMMA from small-time simulations

  ORAL

  March 19, 2009, 1:27 PM – March 19, 2009, 1:39 PM

  Authors

  • Solomon Duki

    • Case Western Reserve University

  • Mesfin Tsige

    • Southern Illinois University at Carbondale
    • Southern Illinois University

  • Philip Taylor

    • Case Western Reserve University

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• Translocation of a Polymer Through a Nanopore in the Presence of Obstacles

  ORAL

  March 19, 2009, 1:39 PM – March 19, 2009, 1:51 PM

  Authors

  • Hendrick W. de Haan

    • University of Ottawa

  • Gary Slater

    • University of Ottawa

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• Role of RNA in the self-assembly of virus:A coarse-grained Brownian Dynamics study

  ORAL

  March 19, 2009, 1:51 PM – March 19, 2009, 2:03 PM

  Authors

  • J.P. Mahalik

    • University of Massachusetts

  • Murugappan Muthukumar

    • Polymer Science and Engineering, University of Massachusetts, Amherst
    • University of Massachusetts

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• Probability of adsorption of peptide (CR3-1, S2) chains on clay minerals by coarse-grained Monte Carlo simulation

  ORAL

  March 19, 2009, 2:03 PM – March 19, 2009, 2:15 PM

  Authors

  • Ras Pandey

    • University of Southern Mississippi

  • Hendrik Heinz

    • University of Akron
    • Department of Polymer Engineering, University of Akron

  • Barry Farmer

    • Air Force Research Laboratory, WPAFB
    • AFRL
    • Air Force Research Laboratory
    • AFRL/RXB, WPAFB, Daton, OH 45433, USA

  • Sharon Jones

    • Air Force Research Laboratory, WPAFB

  • Lawrence Drummy

    • Air Force Research Laboratory, WPAFB
    • UES Inc.

  • R.R. Naik

    • Air Force Research Laboratory, WPAFB
    • AFRL/RXB, WPAFB, Daton, OH 45433, USA

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