Modelling radiation effects using the ab-initio based tungsten and vanadium potentials

Abstract

The Embedded Atom Model (EAM) Derlet–Nguyen–Manh–Dudarev tungsten and vanadium potentials were modified to correctly reproduce the experimentally obtained defect threshold energies. This was done by letting the interactions at short distances be dictated by the universal screened Coulomb potential. Both the repulsive part and the electron density function of the potentials were modified. The potentials were then used in collision cascade simulations and the resulting defects were compared with the corresponding defects in iron. Based on this comparison, factors affecting the outcome of a cascade were identified.