First-Principles and MD VIII: Reactive Molecular Dynamics

Presentations

• Micron-scale Reactive Atomistic Simulation of Void Collapse and Hotspot Growth in PETN

  ORAL

  June 19, 2015, 9:15 AM – June 19, 2015, 9:30 AM

  Authors

  • Aidan Thompson

    • Sandia National Laboratories

  • Tzu-Ray Shan

    • Sandia National Laboratories

  • Ryan Wixom

    • Sandia National Laboratories

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• Shock and Laser Induced Non-Equilibrium Chemistry in Molecular Energetics

  ORAL

  June 19, 2015, 9:30 AM – June 19, 2015, 9:45 AM

  Authors

  • Mitchell Wood

    • Materials Engineering, Purdue University

  • Mathew Cherukara

    • Materials Engineering, Purdue University
    • Purdue Univ

  • Edward Kober

    • Theoretical Division, Los Alamos National Lab

  • Alejandro Strachan

    • Purdue University
    • Materials Engineering, Purdue University
    • Purdue Univ

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• Atomistic Simulation of Initiation in Hexanitrostilbene

  ORAL

  June 19, 2015, 9:45 AM – June 19, 2015, 10:00 AM

  Authors

  • Tzu-Ray Shan

    • Sandia National Laboratories

  • Ryan R. Wixom

    • Sandia National Laboratories
    • Sandia Natl Labs

  • Cole Yarrington

    • Sandia National Laboratories
    • Sandia National Labs

  • Aidan Thompson

    • Sandia National Laboratories

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• Kinetic model for thermal decomposition of energetic materials from ReaxFF molecular dynamics

  ORAL

  June 19, 2015, 10:00 AM – June 19, 2015, 10:15 AM

  Authors

  • Oleg Sergeev

    • All-Russia Research Institute of Automatics

  • Alexey Yanilkin

    • All-Russia Research Institute of Automatics

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• Chemistry away from local equilibrium: shocking high-energy and energy absorbing materials

  COFFEE_KLATCH · Invited

  June 19, 2015, 10:15 AM – June 19, 2015, 10:45 AM

  Authors

  • Alejandro Strachan

    • Purdue University
    • Materials Engineering, Purdue University
    • Purdue Univ

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