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Molecular dynamics modelling of diffusional formation of titanium carbide clusters in iron matrix

Version 2 2024-06-03, 10:58
Version 1 2015-03-08, 22:33
conference contribution
posted on 2024-06-03, 10:58 authored by Y Lv, Peter HodgsonPeter Hodgson, Lingxue KongLingxue Kong, W Gao
Molecular 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

Pagination

503-509

Location

San Diego, California

Start date

2014-02-16

End date

2014-02-20

ISBN-13

9781118889725

Language

eng

Publication classification

E Conference publication, E1 Full written paper - refereed

Copyright notice

Wiley-Blackwell

Editor/Contributor(s)

[Unknown]

Title of proceedings

TMS 2014 : Proceedings of the 143rd Minerals, Metals and Materials Society Annual Meeting

Event

Minerals, Metals and Materials Society. Annual Meeting (143rd : 2014 : San Diego, California)

Publisher

Wiley

Place of publication

London, Eng.

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