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Atomistic simulation of Fe-C austenite

Lookup NU author(s): Dr Adrian OilaORCiD, Professor Steve BullORCiD



The free energy minimization method Using all embedded atom interatomic potential was employed to predict the atomic configuration of Fe-C austenite. A number of mechanical properties as well as the heat capacity for gamma-Fe and Fe-C austenite with various carbon concentrations have been calculated. The results are in good agreement With data available in the literature. (C) 2008 Elsevier B.V. All rights reserved.

Publication metadata

Author(s): Oila A, Bull SJ

Publication type: Article

Publication status: Published

Journal: Computational Materials Science

Year: 2009

Volume: 45

Issue: 2

Pages: 235-239

Date deposited: 24/05/2010

ISSN (print): 0927-0256

ISSN (electronic):

Publisher: Elsevier BV


DOI: 10.1016/j.commatsci.2008.09.013


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