Modeling radiation induced segregation in iron–chromium alloys

Radiation induced segregation in ferritic Fe–Cr alloys is studied by Atomistic Kinetic Monte Carlo simulations that include diffusion of chemical species by vacancy and interstitial migration, recombination, and elimination at sinks. The parameters of the diffusion model are fitted to DFT calculations. Transport coefficients that control the coupling between diffusion of defects and chemical species are measured in dilute and concentrated …