Void collapse and hot spot formation in shocked HMX: A large- scale molecular dynamics study

Abstract eng:
It has been suggested that crystal property such as internal defect and surface morphology plays key roles in the shock-induced hot spot formation and initiation of detonation in energetic materials. We herein present a large-scale reactive molecular dynamics simulation of shock initiation of HMX single crystal with void defect to investigate the void collapse and hot spot formation at the atomistic level. Results show that shocked-induced jetting composed of the upstream HMX molecules travels across the void and collides with the downstream void surface, leading to void collapse, greatly local temperature increase and hot spot formation, and subsequent chemical reaction initiation. The effects of void size as well as geometry and shock strength on the dynamical process are also probed.

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