Molecular Dynamics Investigation of Detonation in Energetic Solids

摘要

Reactive Empirical Bond-Order (REBO) potential is used in Molecular Dynamics to probe the atomic-level details of detonations due to the impacting of flyer plate in energetic solids. It aims at investigating the mechanisms of shock initiations, the conditions that affect these mechanisms, and the properties of the detonated systems. Molecular dynamics simulations of a flyer plate impacting a quiescent two dimensions energetic solids are performed with four velocities: 4.6 km/s, 4.7 km/s, 5 km/s and 6 km/s. Our simulations reproduced many properties of detonation, such as the threshold of initiation, time-independent of the reaction zone, etc. These results show that molecular dynamics can be used to investigate detonations in energetic solids.