Self-interstitial diffusion in α-Fe was investigated by 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 2 transition processes among the 2 allotropic states of self-interstitial defects, the reformation of <110> dumbbell 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. K.Kusunoki: Materials Transactions, 2006, 47[8], 1906-9