Study of loop–loop and loop–edge dislocation interactions in bcc iron

Abstract

Recent theoretical calculations and atomistic computer simulations have shown that one-dimensional glissile clusters of self-interstitial atoms (SIAs) play an important role in the evolution of microstructure in metals and alloys under cascade damage conditions. Recently, it has been proposed that the evolution of heterogeneities such as dislocation decoration and rafts has serious impacts on the mechanical properties on neutron-irradiated metals. In the present work, atomic-scale computer modelling (ASCM) has been applied to study the mechanisms for the formation of such microstructure in bcc iron. It is shown that glissile clusters with parallel Burgers vectors interact strongly and can form extended immobile complexes, i.e., rafts. Similar attractive interaction exists between dislocation loops and an edge dislocation. These two mechanisms may be responsible for the formation of extended complexes of dislocation loops below the extra half-plane of edge dislocations. The interaction energies between loops and between an edge dislocation and loops has been calculated as a function of distance using ASCM and the results for long-range interactions are in good agreement with the results of isotropic elasticity calculations.