Molecular Dynamics Simulation of Shock Wave Propagation through RDX Crystal Lattice

This article provides the results of molecular dynamics (MD) simulation for the process of nonreactive shock wave propagation through hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) crystal lattice. Special attention is paid to the calculation of processes related to redistribution of the kinetic energy of molecular ordered motion behind the shock wave front into the intermolecular and intramolecular vibrations.