Simulating a 100 keV cascade in a simplified nuclear glass by a method combining ballistic and classical molecular dynamics

The CoMoD method (combined molecular dynamics) extends the scope of classical molecular dynamics to allow the investigation of energy levels corresponding to actual recoil nuclei with shorter computation times. The results obtained at 100 keV confirm those obtained by classical molecular dynamics at lower energies. After the acceleration of the initial projectile, the glass passes through a depolymerization phase that reaches a maximum before structure recovery.The 100 keV cascade simulated here shows a persistent final depolymerization of about 150 chemical bonds. We also observe a decrease in the atomic density along the primary or secondary projectile path within a radius of 15 Å.There does not seem to be any reason that would prevent applying the CoMoD method to other glass or crystalline matrices, although each matrix will require reconfiguration.