End Processing of MAEAM Pair Potential for BCC Metals

Hak Son Jin; An Du

doi:10.4028/www.scientific.net/AMR.424-425.568

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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 424-425End Processing of MAEAM Pair Potential for BCC...

End Processing of MAEAM Pair Potential for BCC Metals

Abstract:

An end processing function of the pair-potential of modified analytical embedded atom method (MAEAM) was suggested for bcc metals. Through fitting the elastic constants, cohesive energy and an equilibrium condition of bcc metal crystals correctly, we changed the pair-potential parameters and the modification term parameter of the multi-body potential. The model calculations fully demonstrate the structure stabilities and the phonon dispersion curves of seven bcc transition metals: Cr, Fe, Mo, Nb, Ta, V and W.

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Periodical:

Advanced Materials Research (Volumes 424-425)

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568-572

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.424-425.568

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Online since:

January 2012

Authors:

Hak Son Jin, An Du

Keywords:

BCC Metal, MAEAM, Phonon Dispersion, Structure Stability

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References

[1] M.S. Daw and M.I. Baskes: Phys. Rev. Lett. Vol. 50 (1983), p.1285

Google Scholar

[2] R.A. Johnson: Phys. Rev. B Vol. 37 (1988), p.3924

Google Scholar

[3] M.I. Baskes: Phys. Rev. B Vol. 46 (1992), p.2727

Google Scholar

[4] B. Zhang, Y. Quyang, S. Liao and Z. Jin: Phys. B Vol. 262 (1999), p.218

Google Scholar

[5] B. Zhang, W. Hu and X. Shu, in: Theory of embedded atom method and its application to materials science − atomic scale materials design theory, chapter, 7, Hunan University Publication Press, Changsha (2003)

Google Scholar

[6] W. Hu, X. Shu and B. Zhang: Comp. Materials Sci. Vol. 23 (2002), p.175

Google Scholar

[7] J. H. Rose, J.R. Smith, F. Guinea and J. Ferrante: Phys. Rev. B Vol. 29 (1984), p.2963

Google Scholar

[8] R.A. Johnson and D.J. Oh: J. Mater. Res. Vol. 4 (1989), p.1195

Google Scholar

[9] M.I. Baskes and C.F. Melius: Phys. Rev. B Vol. 20 (1979), p.3197

Google Scholar

[10] R. Pasianot, D. Farkas and E.J. Savino: Phys. Rev. B Vol. 43 (1991), p.6952

Google Scholar

[11] M.S. Daw and R.D. Hatcher: Solid State Commun. Vol. 56 (1985), p.697

Google Scholar