Mechanism of interstitial dislocation loops formation in α-iron under irradiation

摘要

The nucleation of interstitial dislocation loops in α-iron under irradiation has been studied a the molecular dynamics method. Pair interatomic potential was calculated on the basis of the pseudopotential theory using the Animalu form-factors and the dielectric function of Vashista and Singvi. In order to decrease a computational error associated with the cut off of the potential, a special procedure was applied. On basis of the results obtained, the microscopic mechanisms of formation of different interstitial loops are proposed. The results of the modeling are in a good qualitative agreement with experimental data.