MD-4: Molecular Dynamics IV - Energetic Materials

Presentations

• Compressive shear reactive dynamics to evaluate the anisotropic sensitivity of single-crystal energetic materials

  ORAL

  July 1, 2009, 8:30 AM – July 1, 2009, 8:45 AM

  Authors

  • Sergey Zybin

    • California Institute of Technology

  • Peng Xu

    • California Institute of Technology

  • Yi Liu

  • William Goddard III

    • California Institute of Technology

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• Initiation of PETN decomposition under shock compression: Reactive molecular dynamics simulation

  ORAL

  July 1, 2009, 8:45 AM – July 1, 2009, 9:00 AM

  Authors

  • Peng Xu

    • California Institute of Technology

  • Sergey Zybin

    • California Institute of Technology

  • Aidan P. Thompson

    • Sandia National Laboratories
    • Sandia National Lab
    • Sandia National Labs

  • Joanne Budzien

    • Sandia Nationa Lab

  • William Goddard III

    • California Institute of Technology

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• Novel Catalytic Behavior of Water in High Explosive Decomposition

  ORAL

  July 1, 2009, 9:00 AM – July 1, 2009, 9:15 AM

  Authors

  • Laurence Fried

    • Lawrence Livermore National Lab
    • Lawrence Livermore National Laboratory
    • Lawrence Livrmoer National Lab

  • Christine Wu

    • Lawrence Livermore National Laboratory

  • Lin Yang

    • Lawrence Livermore National Laboratory

  • Nir Goldman

    • LLNL
    • Lawrence Livermore National Laboratory

  • Sorin Bastea

    • Lawrence Livermore National Laboratory

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• Ab initio molecular dynamics simulations on sensitivity of nitrogen-rich poly-tetrazolo energetic compounds

  ORAL

  July 1, 2009, 9:15 AM – July 1, 2009, 9:30 AM

  Authors

  • Anguang Hu

    • Defence Research and Development Canada-Suffield, PO Box 4000, Stn Main, Medicine Hat, AB, T1A 8K6 Canada

  • F. Zhang

    • Defence Research and Development Canada-Suffield, PO Box 4000, Stn Main, Medicine Hat, AB, T1A 8K6 Canada
    • Defence Research and Development Canada - Suffield

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• Hypervelocity reactive dynamics in detonating PETN, RDX, and HMX energetic materials

  ORAL

  July 1, 2009, 9:30 AM – July 1, 2009, 9:45 AM

  Authors

  • Aaron Landerville

    • University of South Florida

  • Ivan Oleynik

    • University of South Florida
    • Department of Physics, University of South Florida

  • Carter White

    • Naval Research Laboratory
    • Navel Research Laboratory

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• First-principles investigation of reactive molecular dynamics in detonating TATB

  ORAL

  July 1, 2009, 9:45 AM – July 1, 2009, 10:00 AM

  Authors

  • Ivan Oleynik

    • University of South Florida
    • Department of Physics, University of South Florida

  • Aaron Landerville

    • University of South Florida
    • Department of Physics, University of South Florida

  • Carter White

    • Naval Research Laboratory
    • Navel Research Laboratory

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• Shock and detonation processes studied at the nanoscale

  COFFEE_KLATCH · Invited

  July 1, 2009, 10:00 AM – July 1, 2009, 10:30 AM

  Authors

  • Jean-Bernard Maillet

    • CEA-DAM

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• Eckart-Sayvetz Alignment: A Useful Tool for the Analysis of Molecular-Scale Simulation Data for Studies of Material Under ExtremeThermodynamic Conditions

  ORAL

  July 1, 2009, 10:30 AM – July 1, 2009, 10:45 AM

  Authors

  • Thomas Sewell

    • University of Missouri at Columbia
    • Department of Chemistry, University of Missouri-Columbia, Columbia, MO 65211-7600
    • University of Missouri - Columbia
    • University of Missouri

  • Richard Dawes

    • Department of Chemistry, University of Missouri-Columbia, Columbia, MO 65211-7600

  • Ali Siavosh-Haghighi

    • Department of Chemistry, University of Missouri-Columbia, Columbia, MO 65211-7600

  • Donald L. Thompson

    • Department of Chemistry, University of Missouri-Columbia, Columbia, MO 65211-7600

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• Shock Compression Calculation of RDX and PETN Molecular Crystals Using the Hugoniostat Method

  ORAL

  July 1, 2009, 10:45 AM – July 1, 2009, 11:00 AM

  Authors

  • Alexander Selezenev

    • Sarov Laboratories

  • Alexey Aleynikov

    • Sarov Laboratories

  • Nikolay Ganchuk

    • Sarov Laboratories

  • Pavel Ermakov

    • Sarov Laboratories

  • Sergey Ganchuk

    • Sarov Laboratories

  • John Aidun

    • Sandia National Laboratories

  • Aidan P. Thompson

    • Sandia National Laboratories
    • Sandia National Lab
    • Sandia National Labs

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