Abstract

The amount of energy released in the detonation of an energetic material clearly influences the properties of the detonation, such as peak temperature and detonation front velocity. Using a model diatomic system which has previously been shown to produce realistic detonation properties, we have performed molecular dynamics simulations in which the exothermicity of the chemical reaction supporting the detonation was systematically varied. The minimum energy release necessary to support a chemically sustained shock wave was determined for this model system, as well as the dependence of front velocity, reaction zone temperature, and density on the magnitude of energy release.

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