A transient semimetallic layer in detonating nitromethane

被引：146

作者：

Reed, Evan J. ^{[1
,2
]}

Manaa, M. Riad ^{[1
]}

Fried, Laurence E. ^{[1
]}

Glaesemann, Kurt R. ^{[1
]}

Joannopoulos, J. D. ^{[2
]}

机构：

[1] Lawrence Livermore Natl Lab, Chem Mat Earth & Life Sci Directorate, Livermore, CA 94550 USA

[2] MIT, Dept Phys, Cambridge, MA 02139 USA

来源：

NATURE PHYSICS | 2008年 / 4卷 / 01期

关键词：

D O I：

10.1038/nphys806

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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.

引用

页码：72 / 76

页数：5

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