Tóm tắt

The effects of alloying elements, Cu, Cr and C, on the number of residual point defects (vacancies and interstitials), their clusteringrntendency and constitution have been investigated by performing molecular dynamics cascade simulations on pure Fe, Fe–0.5 at.% Cu,rnFe–10 at.% Cr and Fe–0.1 at.% C alloys using MEAM interatomic potentials. Both Cu and Cr form Fe–M and M–M interstitial dumbbells, but have no significant effect on the number and clustering tendency of point defects. Carbon has no effect on the formation andrnclustering of point defects neither, but shows a strong binding with vacancies and interstitial dumbbells. By combining the simulationrnresults and calculated binding energies between individual point defects, effects of solute atoms on the long-term irradiation-inducedrnmicrostructure evolution are deduced. Details of cascade simulation results and binding energies between point defects are presented,rnand influence of solute elements on long-term irradiation defect such as void swelling and formation of solute-rich precipitates arerndiscussed.