A simple analytical EAM model for some bcc metals
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Date
2010
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Elsevier Science Bv
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Abstract
An analytical embedded atom method which can treat bcc transition metal iron has been developed. In this model, a new potential was presented and a modified term has been introduced to fit the negative Cauchy pressure P-C = (C-12 - C-44)/2 for Fe element. The new model was applied to calculate thermodynamic properties of binary alloys of the bcc transition metals: Fe, V and Cr. The calculated dilute-solution enthalpies and formation enthalpies of random alloys are in good agreement with the results of first principles calculations and that of the thermodynamic calculations.
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Keywords
Alloys, Surface, Impurity, Molecular Dynamics Simulation (MDS), Embedded Atom Method (EAM), Heat Capacity, Under-Cooled, Specific Heat, BCC Metals
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Citation
Dursun, H.D., Güvenç, Z.B., Kasap, E. (2010). A simple analytical EAM model for some bcc metals. Communications In Nonlinear Science And Numerical Simulation, 15(5), 1259-1266. http://dx.doi.org/10.1016/j.cnsns.2009.05.034
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Communications In Nonlinear Science And Numerical Simulation
Volume
15
Issue
5
Start Page
1259
End Page
1266