A computer simulation of the migration of interstitials in a Lennard-Jones model solid of face-centered cubic structure was performed. The interstitial system was displayed on a graphic data screen so that the interstitial configuration and path of migration could be identified visually. The 100 split was found to be the most stable form of interstitial, and it was observed to migrate by a cooperative mechanism. At high temperatures, near the melting point, the interstitial was observed in two forms: the 100 split configuration was still predominant but for about 30% of the time the interstitial adopted the octahedral configuration. The diffusion of the interstitial was studied at temperatures from one half the melting temperature upwards, and the energy and entropy of migration were obtained from an Arrhenius plot.

Interstitial Migration in FCC Lattice; a Molecular Dynamics Study. Pedersen, L.B., Martin, J.W., Cotterill, R.M.J.: Journal of Physics C, 1972, 5[23], 3296-308