Molecular dynamics simulation of displacement cascades in Fe–Cr alloys

Abstract

An embedded atom method (EAM) empirical potential recently fitted and validated for Fe–Cr systems is used to simulate displacement cascades up to 15 keV in Fe and Fe–10%Cr. The evolution of these cascades up to thermalisation of the primary damage state is followed and quantitatively analysed. Particular attention is devoted to assessing the effect of Cr atoms on the defect distribution versus pure Fe. Using the Wigner–Seitz cell criterion to identify point defects, first results show that the main effect of the presence of Cr in the system is the preferential formation of mixed Fe–Cr dumbbells and mixed interstitial clusters, with expected lower mobility than in pure Fe.