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Molecular theory and cooperative mechanism of shock waves‐induced detonations in energetic molecular crystals
Author(s) -
Odiot S.,
Peyrard M.,
Schnur J.,
Oran E.
Publication year - 1986
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560290550
Subject(s) - detonation , shock wave , shock (circulatory) , crystal (programming language) , mechanism (biology) , coherence (philosophical gambling strategy) , molecular dynamics , chemical physics , physics , mechanics , materials science , chemistry , explosive material , quantum mechanics , computer science , medicine , organic chemistry , programming language
Abstract At 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.