Abstract
We have used both ab initio and empirical potential based molecular dynamics and static calculations to parameterize a model accounting for the mobility of self-interstitial clusters and small dislocation loops in Fe–Cr alloys depending on Cr content. Particularly, we have considered the interval of 5–15% of Cr, corresponding to the typical concentration of Cr in ferritic/martensitic steels. The mobility of self-interstitial clusters and small dislocation loops was found to be strongly reduced in the presence of Cr due to attractive interaction between self-interstitials and Cr atoms, whereas Cr-rich precipitates act as repulsive obstacles. The results obtained allow the experimental trend of swelling measurements in neutron and high-energy electron irradiated Fe–Cr alloys to be interpreted and explained.
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