Diffusion dynamics of vacancy on Re(0 0 0 1), compared with adatom

Using molecular dynamics (MD) simulations along with our recently constructed modified analytic embedded-atom method, the diffusion dynamics of single vacancy and adatom on Re(0 0 0 1) surface are studied. The diffusion coefficients of Re adatom and vacancy are calculated, and are found to present Arrhenius diagram. The diffusion migration energies (Em)(Em) and prefactors (D0)(D0) are obtained from the Arrhenius relation. The calculated EmEm for adatom is in agreement with the recent low-temperature field ion microscope experimental data. The EmEm and D0D0 show that the vacancy has very low diffusive rate.