Solute-point defect interactions, coupled diffusion, and radiation-induced segregation in fcc nickel

Radiation-induced segregation (RIS) of solutes in materials exposed to irradiation is a well-known problem. It affects the lifetime nuclear reactor core components by favoring radiation-induced degradation phenomena such as hardening and embrittlement. In this work, RIS tendencies face centered cubic (fcc) Ni-$X$ ($X=\mathrm{Cr}$, Fe, Ti, Mn, Si, P) dilute binary alloys are examined. The goal investigate driving forces kinetic mechanisms behind experimentally observed segregation. By means ab initio calculations, point-defect stabilities interactions with determined, together migration energies attempt frequencies. Transport diffusion coefficients then calculated mean-field framework, get full picture solute-defect coupling alloys. Results show that all considered, exception Cr, prefer vacancy-mediated over interstitial-mediated during both thermal migration. on other hand, preferentially migrates mixed-dumbbell configuration. P Si here shown be enriched, Fe Mn depleted at sinks material. Ti display crossover between enrichment lower temperatures, depletion higher temperature range. work compared previous studies body (bcc) discussed context austenitic