Author: ["Evan J. Reed","M. Riad Manaa","Laurence E. Fried","Kurt R. Glaesemann","J. D. Joannopoulos"]
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Abstract
Despite decades of research, the microscopic details and extreme states of matter found within a detonating high explosive have yet to be elucidated. Here we present the first quantum molecular-dynamics simulation of a shocked explosive near detonation conditions. We discover that the wide-bandgap insulator nitromethane (CH3NO2) undergoes chemical decomposition and a transformation into a semimetallic state for a limited distance behind the detonation front. We find that this transformation is associated with the production of charged decomposition species and provides a mechanism to explain recent experimental observations.Cite this article
Reed, E., Riad Manaa, M., Fried, L. et al. A transient semimetallic layer in detonating nitromethane. Nature Phys 4, 72–76 (2008). https://doi.org/10.1038/nphys806 