Computer Simulation of Diffusion in Dilute Al-Fe Alloys
We present results of the molecular dynamics study of Al selfdiffusion, Al and Fe diffusion in Al-Fe dilute alloys. We found that addition of Fe does not change the vacancy formation energy but considerably slows down Al diffusion. We also found that Al and Fe migration 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 available experimental data.
A. Agüero, J.M. Albella, M.P. Hierro, J. Phillibert and F.J. Pérez Trujillo
M. I. Mendelev et al., "Computer Simulation of Diffusion in Dilute Al-Fe Alloys", Defect and Diffusion Forum, Vols. 289-292, pp. 733-740, 2009