Molecular dynamics simulations and modified analytical embedded-atom methods, the diffusion dynamics of a single vacancy and adatom on the Re(00•1) surface were studied. The diffusion coefficients of a Re adatom and vacancy were calculated, and were found to exhibit Arrhenius behavior. The diffusion migration energies (E) and pre-factors (D0) were obtained from the Arrhenius relationship. The calculated E for adatoms was in agreement with low-temperature field ion microscopic experimental data. The E and D0 showed that the vacancy had very low diffusive rate.

Diffusion Dynamics of Vacancy on Re(0001), Compared with Adatom. Yang, J., Hu, W., Liu, Y.: Physica B, 2009, 404[8-11], 1546-9