RDX Compression, α→ γ Phase Transition, and Shock Hugoniot Calculations from Density-Functional-Theory-Based Molecular Dynamics Simulations
Author:
Affiliation:
1. National Energy Technology Laboratory, U.S. Department of Energy, Pittsburgh, Pennsylvania 15236, United States
2. U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005, United States
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.6b06415
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