The Importance of the Interaction Radius Between Cr and Self-interstitial Fe in Object Kinetic Monte Carlo Calculations of Irradiated FeCr Diluted Alloys

Abstract

We have studied electron irradiation and annealing of FeCr alloys in the dilute limit ( less than 1% Cr) using Object kinetic Monte Carlo (OKMC) with input from density functional theory calculations and empirical potentials. The results are compared to experimental measurements of electric resistivity for different Cr concentrations. We analyse the dependence of Cr on the first two observed peaks: ID2 and IE and the influence of parameters such as the interaction radius between Cr and an Fe self-interstitial