We report on the computer simulation (using molecular dynamics and lattice relaxation) to explore tracer and chemical diffusion (carbon) kinetics in austenite at low carbon contents. It was found by molecular dynamics simulations that the detailed balance relations are not valid for the second nearest neighbours in the movements of the carbon interstitial atoms. The effect of a possible split energy level at the second nearest neighbour positions is analysed from a theoretical point of view.
Defect and Diffusion Forum Vol. 273-276, p. 455-460