Analysis of hypervelocity impacts: The tungsten case

The atomistic mechanisms of damage initiation during high velocity (v up to 9 km/s, kinetic energies up to 200 keV) impacts of W projectiles on a W surface have been investigated using parallel molecular-dynamics simulations involving large samples (up to 40 million atoms). Various aspects of the impact at high velocities, where the projectile and part of the target materials undergo massive plastic deformation, breakup, melting, and vaporization, are analyzed. Different stages of the penetration process have been identified through a detailed examination of implantation, crater size and volume, sputtered atoms, and dislocations created by the impacts. The crater volume increases linearly with the kinetic energy for a given impactor; and the total dislocation length increases with the kinetic energy but depends itself on the size of the impactor. Furthermore, the total dislocation length is less dependent of the fine details of the interatomic potential. The results are rationalized based on the physical properties of bcc W.

Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields

Tinker-HP is massively parallel software dedicated to polarizable molecular dynamics.