Microscopic model for propagation of shock-induced detonations in energetic solids

摘要: The propagation of shock-induced detonations in solids is studied at the microscopic level by molecular dynamics. model consists a two-dimensional lattice diatomic molecules connected Morse or Lennard-Jones potentials. A predissociative, exothermic intramolecular potential used. designed so that given structure can be imposed on and parameters are chosen to consistent with common energetic materials. Detonations propagate this as coherent waves, these waves not destroyed thermal fluctuations. role coupling between transverse longitudinal excitations investigated varying parameters. results calculations show there geometrical conditions crystal well intermolecular potentials must met sustain detonation. Implications for materials discussed.