Self-interstitial diffusion in α-iron was investigated using an embedded-atom-method potential and molecular-dynamics simulations. Curved Arrhenius plot was obtained for the temperature dependence of diffusion coefficients, which was well explained by the superposition of two transition processes among the two allotropic states of self-interstitial defects, the reformation of <110> dumb-bell into another <110> configuration and one-dimensional solitonic propagation of a crowdion on <111> axis.

Molecular-Dynamics Study of Self-Interstitial Diffusion in BCC-Iron. Kusunoki, K.: Materials Transactions, 2006, 47[8], 1906-9