Focus Session: Simulation of Matter at Extreme Conditions - Shock-Induced Chemistry

Presentations

• Extending DFT to Long Time-Scales: Using the Density Functional Tight Binding Approach for Materials Under Extreme Temperatures and Pressures

  COFFEE_KLATCH · Invited

  Feb. 27, 2012, 11:15 AM – Feb. 27, 2012, 11:51 AM

  Authors

  • Nir Goldman

    • Lawrence Livermore National Laboratory

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• Pressure-induced Polymerization in Substituted Acetylenes

  ORAL

  Feb. 27, 2012, 11:51 AM – Feb. 27, 2012, 12:03 PM

  Authors

  • Raja Chellappa

    • Los Alamos National Laboratory

  • Dana Dattelbaum

    • Los Alamos National Laboratory

  • Stephen Sheffield

    • Los Alamos National Laboratory

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• Non-equilibrium Molecular Dynamics Studies of Interfacial Chemistry in Shocked Ni/Al Nanolaminates

  ORAL

  Feb. 27, 2012, 12:03 PM – Feb. 27, 2012, 12:15 PM

  Authors

  • Jason Quenneville

    • Spectral Sciences, Inc.

  • Naresh Thadhani

    • Georgia Institute of Technology

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• Near-Equivalency of Inter and Intramolecular Hydrogen Bonding Under High-Pressure

  ORAL

  Feb. 27, 2012, 12:15 PM – Feb. 27, 2012, 12:27 PM

  Authors

  • M. Riad Manaa

    • Lawrence Livermore National Laboratory

  • Laurence Fried

    • Lawrence Livermore National Laboratory
    • Lawrence Livermore National Lab

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• Modeling of electron-ion coupling in shocked materials

  ORAL

  Feb. 27, 2012, 12:27 PM – Feb. 27, 2012, 12:39 PM

  Authors

  • Evan Reed

    • Stanford University

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• Quantum-based Molecular Dynamics Simulations of Shock-induced Reactions with Time-resolved Raman Spectra

  ORAL

  Feb. 27, 2012, 12:39 PM – Feb. 27, 2012, 12:51 PM

  Authors

  • Marc Cawkwell

    • Los Alamos National Laboratory

  • Edward Sanville

    • Los Alamos National Laboratory

  • Joshua Coe

    • Los Alamos National Laboratory

  • Anders Niklasson

    • Los Alamos National Laboratory

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• Molecular Simulation of Shock Hugoniot for Polymers

  ORAL

  Feb. 27, 2012, 12:51 PM – Feb. 27, 2012, 1:03 PM

  Authors

  • T. Sirk

    • Army Research Laboratory

  • T. Chantawansri

    • Army Research Laboratory

  • E. Byrd

    • Army Research Laboratory

  • B. Rice

    • U.S. Army Research Laboratory
    • Army Research Laboratory

  • J. Andzelm

    • Army Research Laboratory

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• Amorphous Polymeric Nitrogen from Dynamic Shock Simulation

  ORAL

  Feb. 27, 2012, 1:03 PM – Feb. 27, 2012, 1:15 PM

  Authors

  • Todd Beaudet

    • U.S. Army Research Laboratory

  • William Mattson

    • U.S. Army Research Laboratory

  • B. Rice

    • U.S. Army Research Laboratory
    • Army Research Laboratory

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• ABSTRACT WITHDRAWN

  Feb. 27, 2012, 1:15 PM – Feb. 27, 2012, 1:27 PM

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• Ethane and Xenon mixing: density functional theory (DFT) simulations and experiments on Sandia's Z machine

  ORAL

  Feb. 27, 2012, 1:27 PM – Feb. 27, 2012, 1:39 PM

  Authors

  • Rudolph Magyar

    • Sandia National Laboratories

  • Seth Root

    • Sandia National Laboratories

  • Thomas Mattsson

    • Sandia National Laboratories

  • Kyle Cochrane

    • Sandia National Laboratories

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• Dynamic Response of a Carbon Fiber -- Epoxy Composite

  ORAL

  Feb. 27, 2012, 1:39 PM – Feb. 27, 2012, 1:51 PM

  Authors

  • Scott Alexander

    • Sandia National Laboratories

  • William Reinhart

    • Sandia National Laboratories

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• Calculation of Transport Coefficients in Binary Yukawa Mixtures

  ORAL

  Feb. 27, 2012, 1:51 PM – Feb. 27, 2012, 2:03 PM

  Authors

  • Tomorr Haxhimali

    • Lwarence Livermore National Laboratory

  • Robert Rudd

    • Lawrence Livermore National Lab
    • Lwarence Livermore National Laboratory

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• Fracture of Constructional Materials with the Covering at Shock-Wave Loadings

  ORAL

  Feb. 27, 2012, 2:03 PM – Feb. 27, 2012, 2:15 PM

  Authors

  • Pavel Radchenko

    • Institute of Strength Physics and Materials Science SB RAS, Russia

  • Andrey Radchenko

    • Tomsk State University of Architecture and Building, Russia

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