Molecular dynamics simulations of detonation instability.
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.
Heim
Andrew J
AJ
Department of Applied Science, University of California, Davis, California 95616, USA.
Grønbech-Jensen
Niels
N
Kober
Edward M
EM
Germann
Timothy C
TC