First-Principles and Molecular Dynamics Calculations IX: Energetic Materials III

Presentations

• Effect of pressure on nitramine dissociation: A density-functional theory study

  ORAL

  June 30, 2011, 2:00 PM – June 30, 2011, 2:15 PM

  Authors

  • Igor Schweigert

    • Naval Research Laboratory

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• MD simulation of condense phase detonation using a Moving Window technique

  ORAL

  June 30, 2011, 2:15 PM – June 30, 2011, 2:30 PM

  Authors

  • Mikalai Budzevich

    • University of South Florida

  • Vasily Zhakhovsky

    • University of South Florida

  • Carter White

    • Naval Research Laboratory

  • Ivan Oleynik

    • University of South Florida

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• Molecular Dynamics Simulations of Hot Spots and Detonation on the Roadrunner Supercomputer

  ORAL

  June 30, 2011, 2:30 PM – June 30, 2011, 2:45 PM

  Authors

  • Susan Mniszewski

    • Los Alamos National Laboratory

  • Marc Cawkwell

    • Los Alamos National Laboratory

  • Timothy Germann

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

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• Nonequilibrium molecular dynamics simulations of aluminum oxynitride

  ORAL

  June 30, 2011, 2:45 PM – June 30, 2011, 3:00 PM

  Authors

  • N. Scott Weingarten

    • U.S. Army Research Laboratory

  • Iskander G. Batyrev

    • U. S. Army Research Laboratory

  • Betsy M. Rice

    • U. S. Army Research Laboratory

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• Comparative analysis of the data on shocked benzene properties obtained in MD simulations with different interatomic potentials

  ORAL

  June 30, 2011, 3:00 PM – June 30, 2011, 3:15 PM

  Authors

  • Vladimir Dremov

    • Russian Federal Nuclear Centre - Institute of Technical Physics, 456770 Snezhinsk, Russia

  • Gennady Ionov

    • Russian Federal Nuclear Centre - Institute of Technical Physics, 456770 Snezhinsk, Russia

  • Filipp Sapozhnikov

    • Russian Federal Nuclear Centre - Institute of Technical Physics, 456770 Snezhinsk, Russia

  • Ilya Derbenev

    • Russian Federal Nuclear Centre - Institute of Technical Physics, 456770 Snezhinsk, Russia

  • Jean-Bernard Maillet

    • CEA, Centre DAM-Ile-de-France, Bruyeres-le-Chatel 91297, France

  • Nikolas Pinot

    • CEA, Centre DAM-Ile-de-France, Bruyeres-le-Chatel 91297, France

  • Laurent Soulard

    • CEA, Centre DAM-Ile-de-France, Bruyeres-le-Chatel 91297, France

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• Self-consistent Tight-binding Molecular Dynamics Simulations of Shock-induced Reactions in Hydrocarbons

  ORAL

  June 30, 2011, 3:15 PM – June 30, 2011, 3:30 PM

  Authors

  • Marc Cawkwell

    • Los Alamos National Laboratory

  • Edward Sanville

    • Los Alamos National Laboratory

  • Anders Niklasson

    • Los Alamos National Laboratory

  • Stephen Sheffield

    • Los Alamos National Laboratory

  • Dana Dattelbaum

    • Los Alamos National Laboratory

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