Experimental and Computational Studies of Molecular and Lattice Symmetries of Energetic Materials at High Pressure

摘要

Overall research objectives were: to study energetic materials of interest to the Navy/DoD at the high-pressure and high-temperature of detonation; to study the initiation mechanism of detonation; to learn the phase, lattice, and molecular symmetry, and measure theoretical maximum density (TMD) of a material at high pressure and temperature just before initiation; to understand exactly what chemical bonds are most energetic and why, at the pressure and temperature of detonation; to model the global kinetics and reaction mechanism of energetic materials during detonative reactions.