We have performed molecular dynamics simulations of self-interstitial atom diffusion in pure α-Fe and in a dilute Fe–1.0-at. % Cu alloy. We find that the presence of this oversized substitutional solute significantly alters the self-interstitial diffusion properties. We explain this through a mechanism directly based on the atomic strain field interactions between the Cu and the self-interstitial atom.

• Received 22 March 2001

DOI:https://doi.org/10.1103/PhysRevB.64.094303