The nucleation of interstitial dislocation loops under irradiation was studied by using molecular dynamics methods. The pairwise interatomic potential was calculated on the basis of pseudopotential theory by using form-factors and dielectric functions. In order to decrease the computational error which was associated with the cut-off of the potential, a special procedure was used. On the basis of the results, microscopic formation mechanisms were proposed for various interstitial loops. The results of the modelling were in good qualitative agreement with experimental data.

Mechanism of Interstitial Dislocation Loop Formation in α-Iron under Irradiation. D.B.Mizandrontsev, A.A.Vasiliev: Proceedings of the SPIE, 2000, 4064, 220-3