Molecular dynamics simulations were used to investigate the kinetics and energetics of self-interstitial atom clusters. The formation energies of self-interstitial atom clusters were well represented by a power function with a 0.75 exponent of the cluster size. The cluster diffusivities depended strongly upon their structure. All of the self-interstitial atom pairs in clusters were located along the [111] direction rather than the [110] direction. The clusters could migrate 1-dimensionally in the [111] direction, with a small activation energy (0.1eV).

A Molecular Dynamics Simulation Study of Small Cluster Formation and Migration in Metals. K.Morishita, T.Diaz de la Rubia, E.Alonso, N.Sekimura, N.Yoshida: Journal of Nuclear Materials, 2000, 283-287, 753-7