Modeling of segregation and microstructural evolution near grain boundary in Fe-Cr-Ni alloy under irradiation

The authors have investigated the solute segregation and simultaneous evolution of extended defects in an Fe-Cr-Ni alloy during irradiation by computer simulation. It sheds a light on the accomplishment of performing the combined total calculation or the multiscale modeling which deals with both radiation-induced segregation and various kinds of internal sink evolution. The formation of dislocation-free zone (DLFZ) was predicted in the vicinity of a grain boundary. It indicated that DLFZ formation is controlled by solute diffusional process via point defects diffusion near the grain boundary and the activation energy obtained by the width of DLFZ corresponds to the half of the value of the radiation-enhanced solute diffusivity