"Development of a statistical calculation model for the carbon diffusion parameters in metals and alloys"

Carbon diffusion in metals has received a lot of attention and has been the subject of intensive theoretical investigations in recent years. The purpose of this work is development the statistical calculation model (SCM) on the diffusion of carbon in metals and its application for calculating the diffusion coefficients of carbon in alloys. It includes first-principles calculation of the diffusion coefficient according to a statistical model, physicochemical calculation of activation energies for carbon, and linear approximation of carbon diffusion in alloys. The calculated values of the diffusion coefficient for metals are within the range of the experimental values. For low-melting metals, carbon diffusion coefficients are mainly unknown from experiment, but the statistical model allows us to predict their values. The calculations are compared with known experimental data on the diffusion of carbon atoms in some metals Fe, V, Ta and W at high temperatures with fairly good agreement between the results. The SCM-model allows us to determine the influence of the alloying elements Si, Mo and Cr on the diffusion of carbon in the F – C alloy.