Chen's Lattice Inversion Embedded-Atom Method for FCC Metal

Article Preview

Abstract:

We explored a new type EAM potential (CLI-EAM) that the value of atomic electron density and pair potential functions are obtained by Chen’s lattice inversion based on first-principles calculations. This EAM potential is applied to Cu, Ag, Cu and Pt metals successfully and the results of basic properties agreed with the experiments. For the same metal, the cohesive energy of fcc structures are the lower than bcc structures.

You might also be interested in these eBooks

Info:

Periodical:

Pages:

415-420

Citation:

Online since:

August 2011

Export:

Price:

Permissions CCC:

Permissions PLS:

Сopyright:

© 2011 Trans Tech Publications Ltd. All Rights Reserved

Share:

Citation:

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

Google Scholar

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

Google Scholar

[3] S. N. Foils, M. I. Baskes and M. S. Daw: Phys. Rev. B, Vol. 33 (1986) p.7983.

Google Scholar

[4] S. N. Foils: Phys. Rev. B, Vol. 33 (1985) p.7685.

Google Scholar

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

Google Scholar

[6] R. A. Johnson: Phys. Rev. B, Vol. 37 (1988) p.6121.

Google Scholar

[7] D. J. Oh and R. A. Johnson: J. Mater. Res. Vol. 3 (1988) p.471.

Google Scholar

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

Google Scholar

[9] M. I. Baskes: Phys. Rev. Lett. Vol. 59 (1987) p.2666.

Google Scholar

[10] M. I. Baskes, J. S. Nelson and A. F. Wright: Phys. Rev. B, Vol. 40 (1989) p.6085.

Google Scholar

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

Google Scholar

[12] M. I. Baskes and R. A. Johnson: Phys. Rev. B, Vol. 2 (1994) p.147.

Google Scholar

[13] Y. F. Ouyang, B. W. Zhang and Z. P. Jin: Science in China A, Vol. 37 (1994) p.834.

Google Scholar

[14] B. W. Zhang, Y. F. Ouyang, S. Z. Liao and Z. P. Jin: Physica B, Vol. 262 (1999) p.218.

Google Scholar

[15] Y. F. Ouyang and B. W. Zhang: Phys. Lett. A, Vol. 192 (1994) p.79.

Google Scholar

[16] B. W. Zhang, E. Taglauer, X. L. Shu, W. Y. Hu and H. Q. Deng: submitted to Phys. Lett. A (1995).

Google Scholar

[17] N. X. Chen: Phys. Rev. Lett. Vol. 64 (1990) p.1193.

Google Scholar

[18] W. Q. Zhang, Q. Xie, X.D. Zhao and N. X. Chen: Science in China A, Vol. 28 (1998) p.183.

Google Scholar

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

Google Scholar

[20] S. Zhang and N. X. Chen: Phys. Rev. B, Vol. 66 (2002) p.064106.

Google Scholar

[21] Y. Long, N. X. Chen and W. Q. Zhang: J. Phys.: Condens. Mat. Vol. 17 (2005) p. (2045).

Google Scholar

[22] N. X. Chen, J. Shen and X. P. Su: J. Phys.: Condens. Mat. Vol. 13 (2001) p.2727.

Google Scholar

[23] J. Cai, X. Y. Hu and N. X. Chen: J. Phys. Chem. Sol. Vol. 66 (2005) p.1256.

Google Scholar

[24] P. Qian and J. Shen: submitted to Chin. Phys. B (2011).

Google Scholar

[25] P. M. Morse, Phys. Rev. Vol. 34 (1929) p.57.

Google Scholar

[26] A. Banerjea and J. R. Smith: Phys. Rev. B, Vol. 37 (1988) p.6632.

Google Scholar

[27] J. K. Norskov and N. D. Lang: Phys. Rev. B, Vol. 21 (1980) p.2131.

Google Scholar

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

Google Scholar

[29] Y. N. Shen, Z. D. Zhao and X. H. Si: J. Math. Anal. Appl. Vol. 279 (2003) p.723.

Google Scholar

[30] M. D. Segall, P. L. D. Lindan, M. J. Probert, C. J. Pickard, P. J. Hasnip, S. J. Clark and M. C. Payne: J. Phys.: Condens. Mat. Vol. 14 (2002) p.2717.

DOI: 10.1088/0953-8984/14/11/301

Google Scholar

[31] J. D. Gale: JCS Faraday Trans. Vol. 93 (1997) p.629.

Google Scholar

[32] C. Kittel: Introduction to Solid State Physics, 8th ed. (Chemical Engineering Press, Beijing 2005).

Google Scholar

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

Google Scholar

[34] N. Singh: Phys. Rev. B, Vol. 46 (1992) p.90.

Google Scholar

[35] N. Singh: Physica B, Vol. 269 (1999) p.211.

Google Scholar

[36] N. Singh: Physica B, Vol. 270 (1999) p.298.

Google Scholar