Investigation of initiation of a reaction in a solid crystal by the method of molecular dynamics

The effect of the magnitude of pulse loading on the processes in a solid explosive is studied on the basis of a propagator modification of the method of molecular dynamics using a fourth-order numerical scheme. A mesoscale analysis of the wave processes revealed three regimes of propagation of disturbances in the crystal: acoustic, chemical reaction, and detonation. Physical criteria of the transition from one regime to another are obtained.