Carbon Diffusion in Concentrated Fe-C Glasses
Siavash Soltani (1), Joerg Rottler (2,3), Chad W. Sinclair (1) ((1), Department of Materials Engineering, The University of British Columbia (2), Department of Physics, Astronomy, The University of British Columbia (3), Stewart Blusson Quantum Matter Institute
TL;DR
This study uses atomistic simulations to analyze how carbon diffuses in Fe-C glasses, revealing that local environment and concentration significantly influence atomic mobility and stability against crystallization.
Contribution
It provides new insights into the atomic-scale diffusion mechanisms of carbon in Fe-C glasses, highlighting the role of local environment and concentration effects.
Findings
Higher carbon concentration slows atomic mobility.
Diffusion exhibits strong (anti-)correlations.
Increased carbon stabilizes the glass against crystallization.
Abstract
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 other similar metal-metalloid glasses) against crystallization with increasing carbon concentration.
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