作者
Oriane Senninger, Frédéric Soisson, Enrique Martínez, Maylise Nastar, Chu-Chun Fu, Yves Bréchet
发表日期
2016/1/15
期刊
Acta Materialia
卷号
103
页码范围
1-11
出版商
Pergamon
简介
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 alloys. Radiation induced segregation near grain boundaries is directly simulated with this model. We find that the diffusion of vacancies toward sinks leads to a Cr depletion. Meanwhile, the diffusion of self-interstitials causes an enrichment of Cr in the vicinity of sinks. For concentrations lower than 15%Cr, we predict that sinks will be enriched with Cr for temperatures lower than a threshold. When the temperature is above this threshold value, the sinks will be depleted in Cr. These …
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O Senninger, F Soisson, E Martínez, M Nastar, CC Fu… - Acta Materialia, 2016