Computer Simulation of Diffusion in Dilute Al-Fe Alloys

TitleComputer Simulation of Diffusion in Dilute Al-Fe Alloys
Publication TypeJournal Article
Year of Publication2009
AuthorsMendelev MI, Rodin AO, Bokstein BS
Journal TitleDiffusion in Materials - Dimat2008
Date Published09/01
ISBN Number1012-0386
Accession NumberISI:000270899300088
Keywordsaluminum, computer simulation, diffusion, iron, migration, molecular dynamics

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.

URL<Go to ISI>://000270899300088