Study on MAEAM Multi-Body Potentials with Farther Neighbor Atoms for HCP Metals

Hak Son Jin; An Du

doi:10.4028/www.scientific.net/AMR.424-425.581

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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 424-425Study on MAEAM Multi-Body Potentials with Farther...

Study on MAEAM Multi-Body Potentials with Farther Neighbor Atoms for HCP Metals

Abstract:

An end processing method of the pair-potential of modified analytical embedded atom method (MAEAM) was suggested for hcp metals with farther neighbor atoms. Through fitting the elastic constants, the cohesive energy and two equilibrium conditions of hcp metal crystals correctly, we changed the pair-potential parameters and the modification term parameters of the multi-body potential. The model calculations fully demonstrate the structure stability and the unrelaxed mono-vacancy properties of six hcp metals: Co, Mg, Re, Ru, Ti and Zr.

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Periodical:

Advanced Materials Research (Volumes 424-425)

Pages:

581-585

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.424-425.581

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Online since:

January 2012

Authors:

Hak Son Jin, An Du

Keywords:

hcp Metals, MAEAM, Structure Stability, Vacancy Diffusion, Vacancy Formation

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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, B. Zhang, B. Huang, F. Gao and D.J. Bacon: J. Phys.: Condens. Matter Vol.13 (2001), p.1193

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 R.A. Johnson: Modeling Simul. Mater. Sci. Eng. Vol. 2 (1994), p.147

Google Scholar

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

Google Scholar

[11] N. Saunders, A.P. Miodownik and A.T. Dinsdale: CALPHAD Vol. 12 (1988), p.351

Google Scholar

[12] J.R. Beeler and M.F. Beeler, in: Interatomic Potentials and Crystalline Defects, edited by J.K. Lee, The Metallurgical Society AIME, New York (1981), p.141

Google Scholar

[13] P.H. Bisio and A.M. Monti: Phys. Status Solidi b Vol. 135 (1986), p.545

Google Scholar

[14] X. Liu, J.B. Adams, F. Ercolessi and J.A. Moriarty: Modeling Simul. Mater. Sci. Eng. Vol. 4 (1996), p.293

Google Scholar

[15] R.A. Johnson: Phil. Mag. A Vol. 63 (1991), p.865

Google Scholar

[16] M. Fuse: J. Nucl. Mater. A Vol. 136 (1985), p.250

Google Scholar

[17] D.J. Oh and R.A. Johnson: J. Nucl. Mater. A Vol. 169 (1989), p.5

Google Scholar