First Principles and Molecular Dynamics V

Presentations

• Molecular Dynamics Simulations of Rapidly Heated RDX

  ORAL

  July 11, 2017, 3:45 PM – July 11, 2017, 4:00 PM

  Authors

  • Mark Elert

    • United States Naval Academy
    • U. S. Naval Academy

  • Ryan Le

    • U. S. Naval Academy

  • Samuel Emery

    • Naval Surface Warfare Center Indian Head Explosive Ordnance Disposal Division

  • Paul Giannuzzi

    • Naval Surface Warfare Center Indian Head Explosive Ordnance Disposal Division

  • Daniel McCarthy

    • Naval Surface Warfare Center Indian Head Explosive Ordnance Disposal Division

  • Igor Schweigert

    • U. S. Naval Research Laboratory

  View abstract →

• Dependence of hotspot criticality on molecular structure: amorphous vs. crystalline RDX

  ORAL

  July 11, 2017, 4:00 PM – July 11, 2017, 4:15 PM

  Authors

  • Michael Sakano

    • Purdue Univ

  • Brenden Hamilton

    • Purdue Univ

  • Md Mahbubul Islam

    • Purdue Univ

  • Alejandro Strachan

    • Purdue Univ
    • Purdue University

  View abstract →

• Reaction Analysis of Shocked Nitromethane using Extended Lagrangian Born-Oppenheimer Molecular Dynamics

  ORAL

  July 11, 2017, 4:15 PM – July 11, 2017, 4:30 PM

  Authors

  • Romain Perriot

    • Los Alamos National Laboratory

  • Ed Kober

    • Los Alamos National Laboratory

  • Sue Mniszewski

    • Los Alamos National Laboratory

  • Enrique Martinez

    • Los Alamos National Laboratory

  • Anders Niklasson

    • Los Alamos National Laboratory

  • Ping Yang

    • Los Alamos National Laboratory

  • Shawn McGrane

    • Los Alamos National Laboratory

  • Marc Cawkwell

    • Los Alamos National Laboratory

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• Hydrogen transfer in energetic materials from ReaxFF and DFT calculations

  ORAL

  July 11, 2017, 4:30 PM – July 11, 2017, 4:45 PM

  Authors

  • Oleg Sergeev

    • Dukhov All-Russia Research Institute of Automatics (VNIIA)

  • Alexey Yanilkin

    • Dukhov All-Russia Research Institute of Automatics (VNIIA)

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• Shock wave energy dissipation behavior (SWED) in Network forming ionic liquids (NILs): A Molecular dynamics study

  ORAL

  July 11, 2017, 4:45 PM – July 11, 2017, 5:00 PM

  Authors

  • Karthik Guda Vishnu

    • Purdue University

  • Alejandro Strachan

    • Purdue Univ
    • Purdue University

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• Molecular Dynamics Simulations of the First Reactions in Nitrate Ester-based Explosives

  ORAL

  July 11, 2017, 5:00 PM – July 11, 2017, 5:15 PM

  Authors

  • Marc Cawkwell

    • Los Alamos National Laboratory

  • Edward Kober

    • Los Alamos National Laboratory

  • Thomas Myers

    • Los Alamos National Laboratory

  • Virginia Manner

    • Los Alamos Natl Lab
    • Los Alamos National Laboratory

  View abstract →