Molecular dynamics simulations were made of self-interstitial atom diffusion in pure α-Fe and in Fe–1at%Cu alloy. It was found that the presence of this over-sized substitutional solute significantly altered the self-interstitial diffusion properties. This was explained in terms of a mechanism which was based directly upon atomic strain-field interactions between Cu atoms and self-interstitial atoms.

Dynamics of Self-Interstitial Migration in Fe-Cu Alloys. J.Marian, B.D.Wirth, J.M.Perlado, G.R.Odette, T.Diaz de la Rubia: Physical Review B, 2001, 64[9], 094303 (5pp)