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Molecular Dynamics Simulations of Shocks and Detonations in a Model 3D Energetic Crystal with Defects

Published online by Cambridge University Press:  15 February 2011

Lee Phillips
Lee Phillips*
Affiliation:
Laboratory for Computational Physics and Fluid Dynamics, Naval Research Laboratory, Washington, DC 20375
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Abstract

We examine shock induced detonation in a three-dimensional model of a nitromethane crystal. The crystal may contain a defect in the form of a small void. Three regimes are identified: the shock can be weak enough that no chemical bonds are broken; the shock can be so strong that a detonation front is established in the perfect crystal; or the shock can be of intermediate strength, where chemical activity requires the existence of the defect. In all regimes, the defect increases the reaction rate and causes a hot spot to appear.

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Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 296: Symposium Y – Structure and Properties of Energetic Materials , 1992 , 155
Copyright
Copyright © Materials Research Society 1993

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