Molecular Dynamics Simulations of High Explosives
ORAL · Z03 · ID: 484363
Presentations
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Reduced Reaction Chemistry Models for TATB and CL-20
ORAL
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Presenters
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Edward M Kober
- Los Alamos National Laboratory
Authors
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Edward M Kober
- Los Alamos National Laboratory
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Molecular dynamics analysis of shock passage through (010)-oriented β-HMX containing fields of pre-existing dislocations
ORAL
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Publication: Manuscript in preparation. Intended target: J. Appl. Phys.
Presenters
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Tommy Sewell
- University of Missouri
Authors
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Tommy Sewell
- University of Missouri
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Dilki Perera
- University of Missouri
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Zhaocheng Zhang
- Rensselaer Polytechnic Institute
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Catalin Picu
- Rensselaer Polytechnic Institute
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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
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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
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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
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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
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Michael S Sellers
- Booz Allen Hamilton Inc., McLean, VA 22102, USA
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Martin Lίsal
- Department of Physics, Faculty of Science, Jan Evangelista Purkyně University in Ústí nad Labem, Ústí n. Lab. 400 96, Czech Republic
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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).
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
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Matthew P Kroonblawd
- Lawrence Livermore National Laboratory
- Lawrence Livermore Natl Lab
Authors
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Matthew P Kroonblawd
- Lawrence Livermore National Laboratory
- Lawrence Livermore Natl Lab
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Dilki Perera
- University of Missouri
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Tommy Sewell
- University of Missouri
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Ryan Austin
- Lawrence Livermore National Laboratory
- Lawrence Livermore Natl Lab
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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
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Andrey Pereverzev
- University of Missouri
Authors
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Andrey Pereverzev
- University of Missouri
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Tommy Sewell
- University of Missouri
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