Focus Session: Simulations of Matter at Extreme Conditions I

Presentations

• Atomistic and mesoscale modeling of mechanical and chemical processes in energetic materials

  COFFEE_KLATCH · Invited

  March 21, 2005, 11:30 AM – March 21, 2005, 12:06 PM

  Authors

  • Alejandro Strachan

    • Theoretical Division. Los Alamos National Laboratory
    • Theoretical Division, Los Alamos National Laboratory
    • Los Alamos National Laboratory

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• Thermal decomposition of condensed nitromethane from molecular dynamics using the ReaxFF Reactive force field

  ORAL

  March 21, 2005, 12:06 PM – March 21, 2005, 12:18 PM

  Authors

  • Si-ping Han

    • Theoretical Division, Los Alamos National Laboratory and MSC, Caltech

  • Adri van Duin

    • California Institute of Technology

  • William A. Goddard, III

    • California Institute of Technology
    • Materials and Process Simulation Center, California Institute of Technology
    • MSC, Caltech
    • Caltech

  • Alejandro Strachan

    • Theoretical Division. Los Alamos National Laboratory
    • Theoretical Division, Los Alamos National Laboratory
    • Los Alamos National Laboratory

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• Thermal Decomposition of Plastic Bonded Explosives by Molecular Dynamic Simulations with the ReaxFF Force Field

  ORAL

  March 21, 2005, 12:18 PM – March 21, 2005, 12:30 PM

  Authors

  • Luzheng Zhang

  • Adri van Duin

  • Siddharth Dasgupta

  • William Goddard III

    • California Institute of Technology

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• First principles studies of PETN molecular crystal under uniaxial compression

  ORAL

  March 21, 2005, 12:30 PM – March 21, 2005, 12:42 PM

  Authors

  • Jijun Zhao

  • J.M. Winey

  • Y.M. Gupta

    • Institute for Shock Physics, Washington State University, Pullman, WA 99164

  • Warren Perger

    • Department of Physics and Department of Electrical Engineering, Michigan Tech University, Houghton, MI 49931

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• Atomistic-scale simulations of the initial chemical events in triacetonetriperoxide (TATP) detonation

  ORAL

  March 21, 2005, 12:42 PM – March 21, 2005, 12:54 PM

  Authors

  • Adri van Duin

    • California Institute of Technology

  • Yehuda Zeiri

    • Hebrew University

  • William A. Goddard, III

    • California Institute of Technology
    • Materials and Process Simulation Center, California Institute of Technology
    • MSC, Caltech
    • Caltech

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• Directional-dependence in shock-induced melting of fcc metals

  ORAL

  March 21, 2005, 12:54 PM – March 21, 2005, 1:06 PM

  Authors

  • Ramon Ravelo

    • University of Texas-El Paso

  • B.L. Holian

    • Los Alamos National Laboratory

  • T.C. Germann

    • Los Alamos National Laboratory

  • P.S. Lomdahl

    • Los Alamos National Laboratory

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• A multi-scale method enabling long-duration molecular dynamics simulations of steady shock waves

  ORAL

  March 21, 2005, 1:06 PM – March 21, 2005, 1:18 PM

  Authors

  • Evan Reed

  • Laurence Fried

  • William Henshaw

    • Lawrence Livermore National Laboratory

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• Deformation and excitation of molecules during shock compression of defects

  ORAL

  March 21, 2005, 1:18 PM – March 21, 2005, 1:30 PM

  Authors

  • Sergey Zybin

    • California Institute of Technology
    • Caltech Institute of Technology

  • Mark Elert

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

  • Carter White

    • Naval Research Laboratory

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• Shock-induced collapse of nano-bubbles embedded in a solid matrix

  ORAL

  March 21, 2005, 1:30 PM – March 21, 2005, 1:42 PM

  Authors

  • E. Bringa

    • LLNL

  • P. Erhart

    • 1Technische Universität Darmstadt

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• Shock-induced Plasticity and Brittle Cracks in Aluminum Nitride

  ORAL

  March 21, 2005, 1:42 PM – March 21, 2005, 1:54 PM

  Authors

  • Paulo Branicio

    • Universidade Federal de Sao Carlos

  • Rajiv Kalia

  • Aiichiro Nakano

  • Priya Vashishta

    • University of Southern California

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• A Reactive Bond Order Potential for NxHy Species: Molecular Dynamics Simulations of Hydrazine Decomposition

  ORAL

  March 21, 2005, 1:54 PM – March 21, 2005, 2:06 PM

  Authors

  • Yanhong Hu

    • North Carolina State University

  • Edward Byrd

  • Betsy Rice

    • US Army Research Laboratory

  • Donald Brenner

    • Department of Materials Science and Engineering, North Carolina State University
    • North Carolina State University

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• Massive parallel simulation of phenomena in condensed matter at high energy density

  ORAL

  March 21, 2005, 2:06 PM – March 21, 2005, 2:18 PM

  Authors

  • Vladimir Fortov

    • IPChPh RAS

  • Igor Lomonosov

  • Vadim Kim

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• Atomistic simulations of orientation effects during shock compression and decomposition of energetic materials

  ORAL

  March 21, 2005, 2:18 PM – March 21, 2005, 2:30 PM

  Authors

  • Sergey Zybin

    • California Institute of Technology
    • Caltech Institute of Technology

  • Luzheng Zhang

  • Adri van Duin

    • California Institute of Technology

  • Siddharth Dasgupta

  • William A. Goddard, III

    • California Institute of Technology
    • Materials and Process Simulation Center, California Institute of Technology
    • MSC, Caltech
    • Caltech

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• Nonlinear anisotropic response for shocked single energetic crystals

  ORAL

  March 21, 2005, 2:30 PM – March 21, 2005, 2:42 PM

  Authors

  • Sergey Zybin

    • California Institute of Technology
    • Caltech Institute of Technology

  • Tahir Cagin

    • Texas A\&M University

  • William A. Goddard, III

    • California Institute of Technology
    • Materials and Process Simulation Center, California Institute of Technology
    • MSC, Caltech
    • Caltech

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