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Molecular Dynamics Study of the Effect of Varying Exothermicity on the Properties of Condensed-Phase Detonation

Published online by Cambridge University Press:  10 February 2011

M. L. Elert ,
D. H. Robertson  and
C. T. White
M. L. Elert
Affiliation:
Chemistry Dept, U. S.Naval Academy, Annapolis, MD 21402, elert@nadn.navy.mil
D. H. Robertson
Affiliation:
Dept. of Chemistry, Indiana U. - Purdue U., Indianapolis, IN 46202
C. T. White
Affiliation:
Chemistry Division, Code 6179, Naval Research Laboratory, Washington DC 20375
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Abstract

To investigate the role of exothermicity on the properties of a chemically sustained shock waves, a series of two-dimensional molecular dynamics simulations was carried out in which the exothermicity was systematically varied. The simulations were based on a model diatomic system which has been previously shown to produce reasonable values for shock wave properties. A decrease of 33% in the amount of energy released in the reaction produced a significant decrease in detonation front velocity and an increase in the impact energy necessary to initiate a sustained shock wave. Redistribution of energy between the reaction products at constant total exothermicity had a much smaller effect on the properties of the detonation front.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 418: Symposium GG – Decomposition, Combustion, and Detonation Chemistry of Energetic Materials , 1995 , 309
Copyright
Copyright © Materials Research Society 1996

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References

1. Brenner, D. W., Robertson, D. H., Elert, M. L., and White, C. T., Phys. Rev. Lett. 70, 2174 (1993).Google Scholar
2. Tersoff, J., Phys. Rev. Lett. 56, 632 (1986); Phys. Rev. B 37, 6991 (1988).Google Scholar
3. Robertson, D. H., Brenner, D. W., and White, C. T., Phys. Rev. Lett. 67, 3132 (1991).Google Scholar