Effects of edge dislocations on interstitial helium and helium cluster behavior in α-Fe

Abstract

The properties of interstitial He in the vicinity of an edge dislocation were studied using molecular dynamics (MD) simulation. The distribution of the binding energy of a single interstitial He to the dislocation with and without a jog is calculated. The results show that the distribution of the binding energy is governed by the elastic interaction between the interstitial He and the dislocation. The interstitial He is strongly attracted to the dislocation in the tensile region of the dislocation. The jog acts as a stronger sink to absorb interstitial He. The binding energy to the jog is even larger than that of the dislocation. A small He cluster (composed of three interstitial He atoms) was trapped by the dislocation core in the form of a chain along the dislocation line. The dislocation changes the migration behavior of the He cluster, and provides a pipe for the small cluster to exhibit one-dimensional motion. The diffusion of the He cluster in the dislocation is faster than in the defect-free iron, where the He cluster migrates three-dimensionally (3D). If the dislocation is decorated by a jog, the small cluster sinks deep into the jog. The jog prevents the He cluster from escaping.