Molecular dynamics simulations of detonation instability.

Phys Rev E Stat Nonlin Soft Matter Phys

Department of Applied Science, University of California, Davis, California 95616, USA.

Published: October 2008

After making modifications to the reactive empirical bond-order potential for molecular dynamics (MD) of Brenner et al. [Phys. Rev. Lett.70, 2174 (1993); 76, 2202(E) (1996)] in order to make the model behave in a more conventional manner, we discover that the updated model exhibits detonation instability, a first for MD. The instability is analyzed in terms of the accepted theory.

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http://dx.doi.org/10.1103/PhysRevE.78.046710DOI Listing

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