Computer Simulation of Diffusion in Dilute Al-Fe Alloys

摘要

We present results of the molecular dynamics study of Al selfdiffusion, Al and Fediffusion in Al-Fe dilute alloys. We found that addition of Fe does not change the vacancyformation energy but considerably slows down Al diffusion. We also found that Al and Femigration energies, i.e. energies of vacancy exchange with Al and Fe atoms, differ very strongly.Both activation energies for Al and Fe diffusion are in satisfactory agreement with availableexperimental data.