Features of vacancy interaction with interstitial clusters in BCC metals

Recent theoretical calculations and atomistic computer simulations have shown that one-dimensional (1D) glissile clusters of self-interstitial atoms (SIAs) play an important role in the evolution of the microstructure in metals and alloys under cascade damage conditions. Theoretical treatments based on the production bias model (PBM) and cascade-induced source hardening clarify many features of materials behaviour under irradiation by considering 1D glissile SIA clusters. However, further progress in understanding irradiation phenomena demands a detailed knowledge of different reactions where glissile SIA clusters take part. The latest version of the PBM has demonstrated that there is a significant lack of knowledge on mechanisms such as the interaction between mobile clusters and other microstructure components, changes on glide directions or the reduction of cluster mobility. Some aspects of interactions have been recently studied and the formation of immobile complexes of glissile clusters in the bulk and near dislocations has been shown. However, in addition to the cluster - clusters and cluster - dislocation interactions, the interactions of clusters with point defects should be considered. Here we present the first results on interaction between a SIA cluster and vacancy in bcc-iron. The interactions were studied by both atomistic simulations and elasticity theory. Some qualitative differences between the results obtained by these two methods were found, thereby demonstrating the need for the atomistic approach. It is shown that the interaction with vacancies can reduce and, in some cases, suppress the mobility of SIA clusters. The results are discussed in the light of both experimental data and theoretical predictions.