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

Lv,Y, Hodgson,PD, Kong,L and Gao,W 2014, Molecular dynamics modelling of diffusional formation of titanium carbide clusters in iron matrix, in TMS 2014 : Proceedings of the 143rd Minerals, Metals and Materials Society Annual Meeting, Wiley, London, Eng., pp. 503-509.

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Title Molecular dynamics modelling of diffusional formation of titanium carbide clusters in iron matrix
Author(s) Lv,Y
Hodgson,PD
Kong,LORCID iD for Kong,L orcid.org/0000-0001-6219-3897
Gao,W
Conference name Minerals, Metals and Materials Society. Annual Meeting (143rd : 2014 : San Diego, California)
Conference location San Diego, California
Conference dates 16-20 Feb. 2014
Title of proceedings TMS 2014 : Proceedings of the 143rd Minerals, Metals and Materials Society Annual Meeting
Editor(s) [Unknown]
Publication date 2014
Conference series Minerals, Metals and Materials Society Annual Meeting
Start page 503
End page 509
Total pages 7
Publisher Wiley
Place of publication London, Eng.
Keyword(s) Atom behavior
Carbide cluster
Carbon diffusion
Cluster formation
Molecular dynamics
Titanium
Summary 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.
ISBN 9781118889725
Language eng
Field of Research 091207 Metals and Alloy Materials
Socio Economic Objective 861205 Sheet Metal Products
HERDC Research category E1 Full written paper - refereed
ERA Research output type E Conference publication
Copyright notice ©2014, Wiley-Blackwell
Persistent URL http://hdl.handle.net/10536/DRO/DU:30070364

Document type: Conference Paper
Collections: School of Engineering
Institute for Frontier Materials
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