The molecular dynamics method was used to simulate the diffusion of adatoms on the (111) and (001) surfaces. A technique was proposed in which interatomic interactions in multi-component systems could be obtained from a knowledge of the interactions within each component. It was found that Ni atoms were more mobile than Si adatoms. On the (001) 2 x 1 reconstructed surface, Si adatoms preferred to move across dimers with a very low diffusion barrier.

P.Ashu, C.C.Matthai, T.H.Shen: Surface Science, 1991, 251-252, 955-9