Anisotropic deformation mechanism of {110} hexagonal dislocation networks in BCC Iron

Abstract

Molecular dynamics simulation was performed to study the anisotropic mobility behavior of hexagonal dislo-cation networks (HDNs) in a series of bicrystalline pure Fe samples under a force-control in-plane shear defor-mation test. It is found that the mobility of HDN is mainly controlled by the characteristic features of <001> dislocations, which formed in the vicinity of 4<111> dislocations lying at the HDN. Furthermore, we elucidate the underlying mechanism of shearing in HDN as the variation of the length and the core energy of <001> dislocation lines with HDN misorientation angle. The energy barrier analysis of kink activities on the HDN plane is used to address the contribution of these geometrical and structural features to the in-plane shearing anisot-ropy of the HDN.