Atomistic simulation of Fe–C austenite

The free energy minimization method using an 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 γ-Fe and Fe–C austenite with various carbon concentrations have been calculated. The...

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Bibliographic Details
Published inComputational materials science Vol. 45; no. 2; pp. 235 - 239
Main Authors Oila, A., Bull, S.J.
Format Journal Article
LanguageEnglish
Published Amsterdam Elsevier B.V 01.04.2009
Elsevier
Subjects
Alloys
Austenite
Condensed matter: structure, mechanical and thermal properties
EAM
Exact sciences and technology
Free energy minimization
Mechanical properties
Physics
Structure of solids and liquids; crystallography
Structure of specific crystalline solids
EAM
Free energy minimization
62.20.de
61.66.Dk
62.20.dq
Austenite
Mechanical properties
62.20.dj
65.40.Ba
61.72.jj
Minimization
Free energy
Specific heat
Interatomic potential
Atomistic model
Embedded atom method
Steels
Atomic structure
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Summary:The free energy minimization method using an 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 γ-Fe and Fe–C austenite with various carbon concentrations have been calculated. The results are in good agreement with data available in the literature.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 23
ISSN:0927-0256
1879-0801
DOI:10.1016/j.commatsci.2008.09.013