Semi-empirical atomistic study of point defect properties in BCC transition metals
We have constructed a set of embedded atom method (EAM) potentials for Fe, Ta, W and V and used them in order to study point defect properties. The parametrizations of the potentials ensure that the third order elastic constants are continuous and they have been fitted to the cohesive energies, the lattice constants, the unrelaxed vacancy formation energies and the second order elastic constants.