The effects of alloying elements (Cu, Cr, C) upon the number of residual point defects (vacancies, interstitials), their clustering tendency and constitution, were investigated by performing molecular-dynamics cascade simulations of pure Fe, Fe–0.5at%Cu, Fe–10at%Cr and Fe–0.1at%C alloys using MEAM interatomic potentials. Both Cu and Cr formed Fe–M and M–M interstitial dumb-bells, but had no significant effect upon the number and clustering tendency of point defects. The C had no effect upon the formation and clustering of point defects, but exhibited a strong bonding with vacancies and interstitial dumb-bells. By combining the simulation results, and the calculated binding energies between individual point defects, the effects of solute atoms upon the long-term irradiation-induced microstructure evolution were deduced. The details of the cascade simulation results, and binding energies between point defects, were presented and the influence of solute elements upon long-term irradiation defects such as void swelling and the formation of solute-rich precipitates were considered.

Influence of Cu, Cr and C on the Irradiation Defect in Fe - a Molecular Dynamics Simulation Study. J.W.Jang, B.J.Lee, J.H.Hong: Journal of Nuclear Materials, 2008, 373[1-3], 28-38