Characterization of structure and energy of TixCy cluster at early formation stage in iron matrix by molecular dynamics Lv,Y, Hodgson,PD, Kong,L and Gao,W 2014, Characterization of structure and energy of TixCy cluster at early formation stage in iron matrix by molecular dynamics, Chemical physics letters, vol. 608, pp. 40-44, doi: 10.1016/j.cplett.2014.05.091. Attached Files Name Description MIMEType Size Downloads Title Characterization of structure and energy of TixCy cluster at early formation stage in iron matrix by molecular dynamics Author(s) Lv,Y Hodgson,PD orcid.org/0000-0002-6985-1319 Kong,L orcid.org/0000-0001-6219-3897 Gao,W orcid.org/0000-0002-7390-169X Journal name Chemical physics letters Volume number 608 Start page 40 End page 44 Publisher Elsevier BV Place of publication Amsterdam, Netherlands Publication date 2014-07-01 ISSN 0009-2614 1873-4448 Keyword(s) Science & Technology Physical Sciences Chemistry, Physical Physics, Atomic, Molecular & Chemical Chemistry Physics NANOMETER-SIZED CARBIDES ATOM PRECIPITATION STEELS SIMULATIONS ALLOYS FE CU Summary The structure, energy and bonding property of TixCy clusters formed in iron matrix were studied through molecular dynamics (MD) simulation method. The initial clusters with 1D-linear, 2D-ring, and 3D-tetrahedral structures were determined and their stability was calculated. The effect of temperature on the stability of the clusters was also discussed. In addition, the dissociation path of TiC clusters in iron matrix and the corresponding energy variation were analyzed. © 2014 Elsevier B.V. All rights reserved. Language eng DOI 10.1016/j.cplett.2014.05.091 Field of Research 091207 Metals and Alloy Materials Socio Economic Objective 861103 Basic Iron and Steel Products HERDC Research category C1 Refereed article in a scholarly journal ERA Research output type C Journal article Copyright notice ©2014, Elsevier BV Persistent URL http://hdl.handle.net/10536/DRO/DU:30070356 Document type: Journal Article Collections: Institute for Frontier Materials GTP Research Related Links Link Description Connect to Elements publication management system Go to link with your DU access privileges   Connect to published version Go to link with your DU access privileges     Unless expressly stated otherwise, the copyright for items in DRO is owned by the author, with all rights reserved. Versions Version Filter Type Fri, 06 Mar 2015, 15:38:51 EST Sat, 07 Mar 2015, 04:03:07 EST Mon, 09 Mar 2015, 07:23:16 EST Thu, 12 Mar 2015, 13:39:18 EST Wed, 18 Mar 2015, 05:08:49 EST Fri, 20 Mar 2015, 10:25:03 EST Fri, 20 Mar 2015, 14:16:10 EST Filtered Full Citation counts:   Cited 0 times in TR Web of Science Cited 0 times in Scopus Search Google Scholar Access Statistics: 627 Abstract Views, 3 File Downloads  -  Detailed Statistics Created: Thu, 12 Mar 2015, 13:39:18 EST