Critical widths in molecular dynamics simulations of detonations

White, C. T.; Robertson, D. H.; Swanson, D. R.; Elert, M. L.
April 2000
AIP Conference Proceedings;2000, Vol. 505 Issue 1, p377
Academic Journal
Previously, we have developed several models for molecular dynamics simulations of shock-induced chemistry in detonating materials. A series of earlier simulations established that our original AB model can support a detonation with properties consistent with the continuum theory of compressive reactive flows. These studies also showed that this model has an extremely short reaction zone length suggesting a critical width for detonation small enough to be directly determined from molecular dynamics simulations of 2-D strips. Herein, we report results that show that the AB model does exhibit a critical width for detonation that can be found using molecular dynamics simulations. These results also suggest the possibility of observing detonations in highly reactive strips only ten's of nanometers wide.


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