A multi-scale approach to radiation-induced segregation at various grain boundaries

We investigated the dependence of radiation-induced segregation (RIS) in austenitic stainless steels on grain boundary orientation by numerical calculations. A new rate equation model for RIS that incorporates the grain boundary sink strength for point defects was developed. The sink strength was determined as functions of misorientation angle and Σ values using interaction energies of vacancy near grain boundaries as determined by molecular dynamics (MD) and statics (MS). It was shown that the calculated results can reproduce the experimental data obtained by electron and proton irradiation experiments. The good agreement supports the validity of the present model.