Simulations of shock-induced chemistry in solid ozone

We carry out molecular dynamics simulations of shock-induced chemistry in a n ozone molecular crystal described by a reactive empirical bond order pote ntial. We demonstrate an initiation to detonation threshold in an ideal two -dimensional ozone crystal. We also study the effects of void defects on th e initiation process. We find that the introduction of void defects (10% by area) into the crystal lattice reduces the initiation threshold to detonat ion by approximately 7%. This reduction in initiation threshold is due, in part, to local heating and disruption of the crystal lattice during void co llapse.