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Molecular Dynamics Simulations of High Explosives

ORAL · Z03 · ID: 484363

Presentations

  • Melt Curves of RDX and HMX Computed by Molecular Simulation

    ORAL

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    Publication: Garrett M. Tow, James P. Larentzos, Michael S. Sellers, Martin Lísal, and John K. Brennan, "Predicting Melt Curves of Energetic Materials Using Molecular Models," Propellants, Explosives, Pyrotechnics, accepted.

    Presenters

    • Garrett M Tow

      Weapons and Materials Research Directorate, U.S. Army DEVCOM Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005, USA, Army Research Laboratory, Adelphi, MD, U.S. Army Combat Capabilities Development Command (DEVCOM) Army Research Laboratory, Aberdeen Proving Ground, MD, United States, U.S. Army Research Laboratory

    Authors

    • Garrett M Tow

      Weapons and Materials Research Directorate, U.S. Army DEVCOM Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005, USA, Army Research Laboratory, Adelphi, MD, U.S. Army Combat Capabilities Development Command (DEVCOM) Army Research Laboratory, Aberdeen Proving Ground, MD, United States, U.S. Army Research Laboratory

    • James P Larentzos

      Weapons and Materials Research Directorate, U.S. Army DEVCOM Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005, USA, U.S. Army Research Laboratory, Army research Laboratory, Adelphi, MD, U.S. Army Combat Capabilities Development Command (DEVCOM) Army Research Laboratory, Aberdeen Proving Ground, MD, United States

    • Michael S Sellers

      Booz Allen Hamilton Inc., McLean, VA 22102, USA

    • Martin Lίsal

      Department of Physics, Faculty of Science, Jan Evangelista Purkyně University in Ústí nad Labem, Ústí n. Lab. 400 96, Czech Republic

    • John K Brennan

      Weapons and Materials Research Directorate, U.S. Army DEVCOM Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005, USA, U.S. Army Research Laboratory, U.S. Army Combat Capabilities Development Command (DEVCOM) Army Research Laboratory, Aberdeen Proving Ground, MD, United States

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  • Predicted melt curve and liquid shear viscosity of RDX and HMX up to detonation pressures

    ORAL

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    Publication: Sensitivity of pore collapse heating to the melting temperature and shear viscosity of HMX, M. P. Kroonblawd and R. A. Austin, Mechanics of Materials 152, 103644 (2021). <br><br>Predicted melt curve and liquid shear viscosity of RDX up to 30 GPa, M. P. Kroonblawd and H. K. Springer, Propellants Explosives Pyrotechnics (In press, March 2022).

    Presenters

    • Matthew P Kroonblawd

      Lawrence Livermore National Laboratory, Lawrence Livermore Natl Lab

    Authors

    • Matthew P Kroonblawd

      Lawrence Livermore National Laboratory, Lawrence Livermore Natl Lab

    • Dilki Perera

      University of Missouri

    • Tommy Sewell

      University of Missouri

    • Ryan Austin

      Lawrence Livermore National Laboratory, Lawrence Livermore Natl Lab

    • H. K Springer

      Lawrence Livermore National Laboratory

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  • Thermal conductivity tensor of β-HMX as a function of pressure and temperature from equilibrium molecular dynamics simulations

    ORAL

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    Publication: Andrey Pereverzev and Tommy Sewell, "Heat-current filtering for Green–Kubo and Helfand-moment molecular dynamics predictions of thermal conductivity: Application to the organic crystal ß-HMX." Int. J. Heat Mass Trans. 188, 122647, (2022).

    Presenters

    • Andrey Pereverzev

      University of Missouri

    Authors

    • Andrey Pereverzev

      University of Missouri

    • Tommy Sewell

      University of Missouri

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