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Molecular dynamics modelling of diffusional formation of titanium carbide clusters in iron matrix
conference contribution
posted on 2014-01-01, 00:00 authored by Yanan Lv, Peter HodgsonPeter Hodgson, Lingxue KongLingxue Kong, Weimin GaoMolecular dynamics simulation was employed to study the atomic interactions in titanium carbides and iron matrix containing carbon and titanium, which are significant for understanding the formation of titanium carbide cluster during precipitate process. The atoms trajectory and diffusion coefficients of carbon in titanium carbide were analyzed to provide a vacancy-exchanging mechanism and clarify the carbon concentration dependence of carbon diffusion in titanium carbide. The dependence of the formation of titanium carbide cluster in iron matrix on carbon was determined from the study of atoms diffusivity, cluster formation and formation energy of titanium carbide cluster. The simulation results provided insight into the carbon diffusion process and improved the understanding of the formation of titanium carbide cluster.
History
Event
Minerals, Metals and Materials Society. Annual Meeting (143rd : 2014 : San Diego, California)Pagination
503 - 509Publisher
WileyLocation
San Diego, CaliforniaPlace of publication
London, Eng.Start date
2014-02-16End date
2014-02-20ISBN-13
9781118889725Language
engPublication classification
E Conference publication; E1 Full written paper - refereedCopyright notice
2014, Wiley-BlackwellEditor/Contributor(s)
[Unknown]Title of proceedings
TMS 2014 : Proceedings of the 143rd Minerals, Metals and Materials Society Annual MeetingUsage metrics
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