Molecular-dynamics simulation was used to study the migration of an individual atom on the surface (010) of a (12-6) Lennard-Jones body-centered cubic crystal. Although the Lennard-Jones potential did not quantitatively describe all of the crystalline features, it could furnish several clues as to its thermodynamic behavior. The displacement self-correlation function and the residence time were calculated for a particle deposited on the crystal surface. It was shown that an anomaly occurred on these quantities which could be the signature of a pre-melting process.

Molecular-Dynamics Study of the Diffusion Coefficient on a Crystal Surface. Resende, F.J., Costa, B.V.: Physical Review B, 2000, 61[19], 12697-700