Focus Session: Extreme Conditions and High Pressure I: Chemistry

Presentations

• Shock-induced Reactions in Pentaerythritol Tetranitrate Studied by Molecular Dynamics Simulation

  ORAL

  March 18, 2009, 8:00 AM – March 18, 2009, 8:12 AM

  Authors

  • Joanne Budzien

    • Sandia National Laboratories

  • Aidan P. Thompson

    • Sandia National Laboratories

  • Sergey V. Zybin

    • California Institute of Technology

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• Molecular dynamics simulations of uniaxial shock compression of RDX crystals

  ORAL

  March 18, 2009, 8:12 AM – March 18, 2009, 8:24 AM

  Authors

  • Dmitry Bedrov

    • University of Utah

  • Justin Hooper

    • University of Utah

  • Grant Smith

    • University of Utah

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• A molecular dynamics study of the role of pressure on the response of reactive materials to thermal initiation

  ORAL

  March 18, 2009, 8:24 AM – March 18, 2009, 8:36 AM

  Authors

  • N. Scott Weingarten

    • U. S. Army Research Laboratory

  • William D. Mattson

    • U. S. Army Research Laboratory

  • Betsy M. Rice

    • U. S. Army Research Laboratory

  • Anthony D. Yau

    • High Performance Technologies, Inc.

  • Timothy P. Weihs

    • Johns Hopkins University

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• Mbar Chemistry: Novel States of Matter in Extreme Conditions

  COFFEE_KLATCH · Invited

  March 18, 2009, 8:36 AM – March 18, 2009, 9:12 AM

  Authors

  • Choong-Shik Yoo

    • Institute for Shock Physics and Department of Chemistry
    • Washington State University, Pullman, WA 99164
    • Institute for Shock Physics and Department of Chemistry, Washington State University, Pullman, Washington 99164 - 2816
    • Department of Chemistry and Institute for Shock Physics, Washington State University, Pullman, Washington 99164-2816 USA

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• Novel Catalytic Behavior of Dense Hot Water in PETN Decomposition Reactions

  ORAL

  March 18, 2009, 9:12 AM – March 18, 2009, 9:24 AM

  Authors

  • Christine Wu

    • Lawrence Livermore National Laboratory
    • Lawrence Livermore National Lab

  • Laurence Fried

    • LLNL
    • Lawrence Livermore National Laboratory
    • Lawrence Livermore National Lab

  • Lin Yang

    • Lawrence Livermore National Lab

  • Nir Goldman

    • Lawrence Livermore National Lab

  • Sorin Bastea

    • Lawrence Livermore National Lab

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• The formation of carbon nitride clusters in shocked insensitive explosives

  ORAL

  March 18, 2009, 9:24 AM – March 18, 2009, 9:36 AM

  Authors

  • Laurence Fried

    • LLNL
    • Lawrence Livermore National Laboratory
    • Lawrence Livermore National Lab

  • Riad Manaa

    • Lawrence Livermore National Laboratory

  • Evan Reed

    • LLNL
    • Lawrence Livermore National Laboratory

  • Nir Goldman

    • LLNL
    • Lawrence Livermore National Laboratory

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• Ab initio molecular dynamics of hypervelocity chemistry

  ORAL

  March 18, 2009, 9:36 AM – March 18, 2009, 9:48 AM

  Authors

  • Igor Schweigert

    • Theoretical Chemistry Section, US Naval Research Laboratory, 4555 Overlook Ave SW, Washington, DC 20375

  • Brett Dunlap

    • Theoretical Chemistry Section, US Naval Research Laboratory, 4555 Overlook Ave SW, Washington, DC 20375

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• Boron carbides from first principles

  ORAL

  March 18, 2009, 9:48 AM – March 18, 2009, 10:00 AM

  Authors

  • Emmanuel Betranhandy

    • Laboratoire des solides irradi\'es Ecole polytechnique-CEA-CNRS

  • Jelena Sjakste

    • Laboratoire des solides irradi\'es Ecole polytechnique-CEA-CNRS

  • Nathalie Vast

    • Laboratoire des solides irradi\'es Ecole polytechnique-CEA-CNRS

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• Dynamical stability of the cubic metallic phase of AlH3 at ambient pressure

  ORAL

  March 18, 2009, 10:00 AM – March 18, 2009, 10:12 AM

  Authors

  • Duck Young Kim

  • R.H. Scheicher

    • Uppsala University, Sweden
    • CMT Group, Uppsala
    • Condensed Matter Theory Group, Department of Physics and Materials Science, Uppsala University, Box 530, SE-751 21, Uppsala Sweden

  • Rajeev Ahuja

    • CMT Group, Uppsala; Applied Materials Physics, Dept. of Materials and Engineering, Royal Institute of Technology (KTH), Stockholm

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• Tight binding multi-scale simulations of detonating energetic materials

  ORAL

  March 18, 2009, 10:12 AM – March 18, 2009, 10:24 AM

  Authors

  • Evan Reed

    • LLNL
    • Lawrence Livermore National Laboratory

  • M. Riad Manaa

  • Laurence Fried

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• ABSTRACT WITHDRAWN

  March 18, 2009, 10:24 AM – March 18, 2009, 10:36 AM

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• \textit{Ab Initio} Simulation of the Equation of State and Kinetics of Shocked Water

  ORAL

  March 18, 2009, 10:36 AM – March 18, 2009, 10:48 AM

  Authors

  • Nir Goldman

    • LLNL
    • Lawrence Livermore National Laboratory

  • Evan Reed

    • LLNL
    • Lawrence Livermore National Laboratory

  • I-F. William Kuo

    • LLNL

  • Laurence Fried

    • LLNL
    • Lawrence Livermore National Laboratory
    • Lawrence Livermore National Lab

  • Christopher J. Mundy

    • PNNL

  • Alessandro Curioni

    • IBM-Zurich

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• Dynamical (in)stabilities of high-pressure H2O ices VII, VIII and X

  ORAL

  March 18, 2009, 10:48 AM – March 18, 2009, 11:00 AM

  Authors

  • Razvan Caracas

    • CNRS, Ecole Normale Superieure de Lyon

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