A Kinetic Monte-Carlo study of self-interstitialatom behavior near edge dislocation in a metallic crystal

Suzudo, Tomoaki; Golubov, S.*; Barashev, A.*

no journal, , 

It is known that the theoretical estimates of the dislocation bias factor in metals are generally larger than those derived from experiments. One of the reasons for this is that the theory does not account for the interaction of self-interstitial atom (SIA) and dislocations. In the present study, we developed a kinetic Monte-Carlo model to simulate the SIA diffusion near edge dislocation with a purpose of re-evaluating the bias factor. In the model, the energy barriers depend on the SIA configuration, direction of its axis, and spatial position with respect to the dislocation core. In the simulation for Fe crystal, we observed the transformations from dumbbell-type SIA to crowdion-type SIA near the edge dislocation. We expect that the transformation decreases the theoretical estimate of the dislocation bias factor.