Carbon diffusion in concentrated Fe–C glasses. (8th March 2021)

• Record Type: Journal Article
• Authors: Soltani, Siavash; Rottler, Jörg; Sinclair, Chad W
• Is Part Of: Modelling and simulation in materials science and engineering. Volume 29:Number 3(2021)
• Publication Date: 2021-03-08
• Subjects: diffusion -- metallic glass -- Fe–C -- molecular dynamics; Materials -- Mathematical models -- Periodicals; Matériaux -- Modèles mathématiques -- Périodiques; Materials -- Mathematical models; Periodicals; 620.00113
• DOI: 10.1088/1361-651X/abdc68
• Languages: English
• ISSNs: 0965-0393

Abstract

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, potentially, other similar metal–metalloid glasses) against crystallization with increasing solute concentration.