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Molecular Simulations of Shock to Detonation Transition in Nitromethane

2011/07/18 by Jean‐Bernard Maillet, J. -B. Maillet, G. Vallverdu +9
Biochemistry, Genetics and Molecular Biology · Engineering · Physics and Astronomy · #Combustion and Detonation Processes #Energetic Materials and Combustion #FOS: Physical sciences #Hemoglobin structure and function #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci

paper · pdf · doi:10.48550/arxiv.1107.3453

arxiv created 2011/07/18 · openalex publication_date 2011/07/18 · arxiv updated 2011/07/19 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

An extension of the model described in a previous work of Maillet, Soulard and Stoltz based on a Dissipative Particule Dynamics is presented and applied to liquid nitromethane. Large scale non-equilibrium simulations of reacting nitromethane under sustained shock conditions allow a better understanding of the shock-to-detonation transition in homogeneous explosives. Moreover, the propagation of the reactive wave appears discontinuous since ignition points in the shocked material can be activated by the compressive waves emitted from the onset of chemical reactions.

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