Molecular theory and cooperative mechanism of shock waves‐induced detonations in energetic molecular crystals

Abstract

AbstractAt a microscopic level, two molecular models, respectively one‐ and two‐dimensional, for describing the shock‐induced detonationmechanism of an energetic crystal have been previously successively presented (after initiation).We put together, here, their characteristic features, and we discuss their respective contributions inorder to define the molecular and crystalline conditions that a crystal fulfills to sustain a shock induced wave detonation. The two‐dimensional model which allows longitunal but also transversal atomic motions, has enabled us to elicit the crystalline structure in relation with the existence of a wave detonation propagation in the crystal or not. By comparison to detonation experiments the coherence of the models is performed. It may thus be possible to form an idea as to why a molecular compound can detonate through a shock wave.