The Divacancy Formation Energy for B2 FeAl Alloy Simulated with Finnis-Sinclair many-Body Interatomic Potential

Yue Hua Wang; Yan Xia Liu; Xun Wang

doi:10.4028/www.scientific.net/AMR.652-654.1067

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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 652-654The Divacancy Formation Energy for B2 FeAl Alloy...

The Divacancy Formation Energy for B2 FeAl Alloy Simulated with Finnis-Sinclair many-Body Interatomic Potential

Abstract:

The Finnis-Sinclair many-body potential was fitted for binary FeAl alloy with B2 structure. As the examination to the acquired potential function, some properties were calculated, and the results agree with the experiments well. Further, properties of point defects, such as divacancies were studied as an application.

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Advanced Materials Research (Volumes 652-654)

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1067-1071

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https://doi.org/10.4028/www.scientific.net/AMR.652-654.1067

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January 2013

Authors:

Yue Hua Wang, Yan Xia Liu, Xun Wang

Keywords:

Divacancy, Feal Alloy, Interatomic Potential

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