Molecular dynamics methods were used to simulate primary radiation-damage processes. The interaction of atoms was described by using an embedded atom method potential that had been modified, for small atomic separations, in order to mesh smoothly with the universal ZBL potential for the description of higher-energy recoils in cascades. The initial displacement cascades were observed to consist of replacement collision sequences, with subsequent molten structures at the centers of cascades. The efficiency of defect production in displacement events, which initiated from recoils with kinetic energies of up to 20keV, was estimated. Frenkel-pair production was found to exhibit a power-law dependence upon the primary recoil energy. The energy dependence was different for single and multiple Frenkel-pair production. The efficiencies of defect production and cascade mixing were slightly higher and lower, respectively, in body-centered cubic V cascades than in face-centered cubic metals.

A Molecular Dynamics Simulation Study of Displacement Cascades in Vanadium. K.Morishita, T.Diaz de la Rubia: Journal of Nuclear Materials, 1999, 271-272, 35-40