Focus Session: Simulations of Matter at Extreme Conditions I

Presentations

• Shock-Induced Chemical Reactions of Polycyclic Aromatic Hydrocarbons

  ORAL

  March 15, 2006, 8:00 AM – March 15, 2006, 8:12 AM

  Authors

  • Mark Elert

    • U. S. Naval Academy
    • U.S. Naval Academy

  • Sergey Zybin

    • California Institute of Technology

  • Shannon Revell

    • U. S. Naval Academy

  • Carter White

    • NRL
    • Naval Research Laboratory

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• Interatomic bond-order potentials for atomistic simulations of materials at extreme conditions

  ORAL

  March 15, 2006, 8:12 AM – March 15, 2006, 8:24 AM

  Authors

  • Yongxue Yu

  • Ivan Oleynik

    • University of South Florida
    • Univ. of South Florida

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• First-principles modeling of energetic materials

  ORAL

  March 15, 2006, 8:24 AM – March 15, 2006, 8:36 AM

  Authors

  • Mike Conroy

    • University of South Florida

  • Ivan Oleynik

    • University of South Florida
    • Univ. of South Florida

  • Carter White

    • NRL
    • Naval Research Laboratory

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• Direct Simulation of Detonations: Applications to the H$_{2}$-Cl$_{2}$ System

  ORAL

  March 15, 2006, 8:36 AM – March 15, 2006, 8:48 AM

  Authors

  • Patrick D. O'Connor

    • Pennsylvania State University

  • Lyle N. Long

    • Pennsylvania State University

  • James B. Anderson

    • Pennsylvania State University

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• Molecular Dynamics Simulations of Thermal Induced Chemistry in TATB

  ORAL

  March 15, 2006, 8:48 AM – March 15, 2006, 9:00 AM

  Authors

  • Jason Quenneville

  • Timothy Germann

    • Los Alamos National Laboratory

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• Decomposition of Energetic Materials at Extreme Conditions

  ORAL

  March 15, 2006, 9:00 AM – March 15, 2006, 9:12 AM

  Authors

  • Riad Manaa

  • Laurence Fried

    • Lawrence Livermore National Laboratory

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• Transitions between strong shock and elastic-plastic shock regimes in tin and Lennard-Jonesium.

  ORAL

  March 15, 2006, 9:12 AM – March 15, 2006, 9:24 AM

  Authors

  • J.M.D. Lane

  • Michael Marder

    • The University of Texas at Austin
    • Center for Nonlinear Dynamics/Dept. of Physics
    • Physics Department, University of Texas

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• Multi-scale molecular dynamics simulations of steady shock waves in Lennard-Jones and nitromethane

  ORAL

  March 15, 2006, 9:24 AM – March 15, 2006, 9:36 AM

  Authors

  • Evan Reed

    • LLNL
    • Lawrence Livermore National Laboratory

  • Laurence Fried

  • M. Manaa

  • William Henshaw

  • Craig Tarver

    • Lawrence Livermore National Laboratory

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• First-principles approach to reactivity in the presence of shockwave

  ORAL

  March 15, 2006, 9:36 AM – March 15, 2006, 9:48 AM

  Authors

  • Christopher Mundy

    • LLNL

  • I.-F. Will Kuo

    • LLNL

  • Alessandro Curioni

    • IBM

  • Evan Reed

    • LLNL
    • Lawrence Livermore National Laboratory

  • Larry Fried

    • LLNL

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• Finding the structure of phosphorus in phase IV by the first-principles calculation

  ORAL

  March 15, 2006, 9:48 AM – March 15, 2006, 10:00 AM

  Authors

  • Takahiro Ishikawa

  • Hitose Nagara

  • Koichi Kusakabe

    • Osaka University

  • Naoshi Suzuki

    • Osaka University

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• First Principles Phonon and Elasticity Computations for Iron under extreme conditions

  ORAL

  March 15, 2006, 10:00 AM – March 15, 2006, 10:12 AM

  Authors

  • Xianwei Sha

  • Ronald E. Cohen

    • Carnegie Institutiion of Washington
    • Carnegie Institution of Washington

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• Ab initio studies of magnetism at extreme volume and shape deformation

  ORAL

  March 15, 2006, 10:12 AM – March 15, 2006, 10:24 AM

  Authors

  • Mojmir Sob

    • Masaryk University, Brno

  • Martin Fri\'{a}k

    • Institute of Physics of Materials, Academy of Sciences of the Czech Republic, Brno

  • Dominik Legut

    • Institute of Physics of Materials, Academy of Sciences of the Czech Republic, Brno

  • Miroslav Cak

    • Faculty of Mechanical Engineering, Brno University of Technology

  • Martin Zeleny

    • Faculty of Chemistry, Brno University of Technology

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• Electronic Structure of Actinides under Pressure

  COFFEE_KLATCH · Invited

  March 15, 2006, 10:24 AM – March 15, 2006, 11:00 AM

  Authors

  • Borje Johansson

    • Department of Physics, Uppsala University

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