Carbon diffusion in concentrated Fe-C glasses

S Soltani and J Rottler and CW Sinclair, MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 29, 035003 (2021).

DOI: 10.1088/1361-651X/abdc68

By combining atomistic simulations with a detailed analysis of individual atomic hops, we show that the diffusion of carbon in a binary Fe-C glass exhibits strong (anti-)correlations and is largely determined by the local environment. Higher local carbon concentrations lead to slower atomic mobility. Our results help explain the increasing stability of Fe-C (and, potentially, other similar metal-metalloid glasses) against crystallization with increasing solute concentration.

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