The dimer method was applied to determine the transition energy barriers for defect motion in α-Fe containing P impurity. The principal defects analysed were those that were found to exist after a classical molecular dynamics simulation of the collisional phase of a cascade. Two different diffusion mechanisms were found when the P was in an interstitial site. The P interstitial could diffuse through the lattice by hopping between <110> dumb-bell and tetrahedral sites, taking a few ns per transition at 300K. This was much slower than the transition times found in previous studies of Fe self-interstitial defects, in which transitions could be observed over normal molecular dynamics time scales of a few tens of ps at 300K.

Diffusion of Radiation Damage in Fe–P Systems. S.M.J.Gordon, H.Hurchand, S.D.Kenny, R.Smith: Nuclear Instruments and Methods in Physics B, 2005, 228[1-4], 131-6