First-Principles and MD IX: Energy Relaxation

Presentations

• A molecular dynamics study of the relaxation of an excited benzene molecule chemisorbed to the surface of crystalline RDX

  ORAL

  June 19, 2015, 11:15 AM – June 19, 2015, 11:30 AM

  Authors

  • Andrey Pereverzev

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

  • Thomas D. Sewell

    Department of Chemistry, University of Missouri-Columbia, Columbia, MO 65211, Univ of Missouri - Columbia

  • Andrei Piryatinski

    Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87544

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• Achieving tunable sensitivity in composite high-energy density materials

  ORAL

  June 19, 2015, 11:30 AM – June 19, 2015, 11:45 AM

  Authors

  • Sergey Rashkeev

    University of Maryland

  • Roman Tsyshevsky

    University of Maryland

  • Maija Kuklja

    National Science Foundation

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• Molecular dynamic study of Shock wave response of bulk amorphous polyvinyl chloride: effect of chain length and force field

  ORAL

  June 19, 2015, 11:45 AM – June 19, 2015, 12:00 PM

  Authors

  • Anupam Neogi

    Indian Institute of Technology Kharagpur

  • Nilanjan Mitra

    Indian Institute of Technology Kharagpur

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• The hydriding resistance of plutonium oxides and mononitride: A view from $ab$ $initio$ molecular dynamics

  ORAL

  June 19, 2015, 12:00 PM – June 19, 2015, 12:15 PM

  Authors

  • Bo Sun

    Institute of Applied Physics and Computational Mathematics, CAEP

  • Haifeng Liu

    Institute of Applied Physics and Computational Mathematics, CAEP

  • Haifeng Song

    Institute of Applied Physics and Computational Mathematics, CAEP

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