Molecular dynamics studies of shock initiation in a model energetic material

In this paper we report the results of molecular dynamics simulations of shock initiation in an energetic material. An Abell‐Tersoff potential has been used to represent a lattice of diatomic molecules capable of undergoing an exothermic reaction. This model system has been employed to investigate the critical conditions for, initiation of a chemically sustained shock wave. The effect of shock pulses of differing amplitude and duration have been studied, and some variations in the potential parameters have been considered to examine the influence of potential barriers on the initiation thresholds. Finally the results of these simulations are compared with the classical picture of initiation in homogeneous explosives.