The Construction and Application of Interatomic Potential in FeAl Alloy by the Finnis-Sinclair Many-Body Potential Model

Yue Hua Wang; Yan Xia Liu; Xun Wang; Ya Na Shan; Zhong Hai Zhai; Zhi Yong Wang

doi:10.4028/www.scientific.net/AMR.557-559.1596

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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 557-559The Construction and Application of Interatomic...

The Construction and Application of Interatomic Potential in FeAl Alloy by the Finnis-Sinclair Many-Body Potential Model

Abstract:

The Finnis-Sinclair many-body potential model was utilized to construct the interatomic potential function in B2 type FeAl alloy at equilibrium state. According to the model, the binding energy, the elastic constants C₁₁, C₁₂ and C₄₄ were calculated, and the results agree well with the experimental results. The formation energy of different defects, such as monovacancy and anti-site, in the B2 FeAl alloy were also studied.

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Advanced Materials Research (Volumes 557-559)

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1596-1601

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.557-559.1596

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Online since:

July 2012

Authors:

Yue Hua Wang, Yan Xia Liu, Xun Wang, Ya Na Shan, Zhong Hai Zhai, Zhi Yong Wang

Keywords:

Feal Alloy, F-S Many-Body Potential, Point Defect

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References

[1] M. S. Daw and M. I. Baskes: Phys. rev. B Vol. 29 (1984), p.6443

Google Scholar

[2] M. W. Finnis and Sinclair J E: Phil. Mag. A Vol. 50 (1984), p.45

Google Scholar

[3] G. J. Ackland, G. Tichy, V. Vitek and M. W. Finnis: Phil. Mag. A Vol. 56 (1987), p.735

Google Scholar

[4] G. J. Ackland and R. Thetford: Phil. Mag. A Vol. 56 (1987), p.15

Google Scholar

[5] Olivier Hardouin Duparc: Phil. Mag. Vol. 89 (2009), p.3117

Google Scholar

[6] Graeme Ackland, Adrian Sutton and Vasek Vitek: Phil. Mag. Vol. 89 (2009), p.3111

Google Scholar

[7] A. Landa, P.Wynblatt, A. Girshick, V. Vitek, A. Ruban and H. Skriver: Acta mater. Vol. 47 (1999), p.477

Google Scholar

[8] G. J. Ackland and V.Vitek: Phys. Rev. B Vol. 41 (1990), p.10324

Google Scholar

[9] Q.Gu, Y. X. Wang, B. Y. Wang, G.Y.Xu and T.M. Wang: Science in China (Series E) Vol. 39 (1996), p.38

Google Scholar

[10] J. Mayer, B. Meyer, J. S.Oehrens, G.Bester, N. Bornsen and M.Fahnle: Intermetallics Vol. 5(1997), p.597

Google Scholar

[11] P. Villas and L. Calvert: Pearson's Handbook of Crystallographic data for Intermetallic Phases (OH: ASM Intermational, Materials Park 1991).

Google Scholar

[12] R. Hultgren, P.D. Desai, D.T. Hawkins, N. Gleiser, K.K. Kelly: Selected Values of Thermodynamic Properties of Binary Alloys (OH: ASM. Materials Park 1973).

Google Scholar

[13] X.L. Shu: Hunan University PhD Dissertation 2001 (in Chinese)

Google Scholar

[14] X.L. Shu, W.Y. Hu, H.N. Xiao and H.Q. Deng: J. Mater. Sci. Tech. Vol.17 (2001), p.601

Google Scholar

[15] S.M. Kim and D.G. Morris: Acta Mater. Vol. 46 (1998), p.2587

Google Scholar