Hostname: page-component-848d4c4894-v5vhk Total loading time: 0 Render date: 2024-06-28T21:34:01.839Z Has data issue: false hasContentIssue false
  • English
  • Français

First-Principles Calculations of the Elastic Properties of the Nickel-Based L12 Intermetallics

Published online by Cambridge University Press:  10 February 2011

D. Iotova ,
N. Kioussis ,
S. P. Lim ,
S. Sun  and
R. Wu
D. Iotova
Affiliation:
Department of Physics and Astronomy, California State University Northridge, CA 91330-8268
N. Kioussis
Affiliation:
Department of Physics and Astronomy, California State University Northridge, CA 91330-8268
S. P. Lim
Affiliation:
Department of Physics and Astronomy, California State University Northridge, CA 91330-8268
S. Sun
Affiliation:
Department of Physics and Astronomy, California State University Northridge, CA 91330-8268
R. Wu
Affiliation:
Department of Physics and Astronomy, California State University Northridge, CA 91330-8268
Get access

Abstract

The elastic constants of the L12-type ordered nickel-based intermetallics Ni3X (X = Mn, Al, Ga, Si, Ge), have been calculated by means of ab initio total-energy electronic structurecalculations based on the full-potential linear-muffin-tin-orbital (FLMTO) method. Theorigins in the electronic structure of the variation of the elastic constants, bulk and shearmoduli are investigated across the series, and the effects of the anisotropy of bonding chargedensity on the shear anisotropy factor and the degree of ductility is discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 408: Symposium P – Materials Theory, Simulations, and Parallel Algorithms , 1995 , 557
Copyright
Copyright © Materials Research Society 1996

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

[1] Briant, C. L., in Intermetallic Compounds - Principles and Practices, edited by Westbrook, J. H. and Fleischer, R.L., (John Wiley & Sons, 1995), Vol.1, p 895.Google Scholar
[2] Wee, D.M., 0. Noguchi, Oya, Y., and Suzuki, T., Trans. Jap. Inst. Metals, 21, 237 (1980).Google Scholar
[3] Yoo, M.H., Scripta Metall. 20, 915 (1986).Google Scholar
[4] Paidar, V., Pope, D.P., and Vitek, V., Acta Metall. 32, 435 (1984).Google Scholar
[5] Takeuchi, S. and Kuramoto, E., Acta Metall. 21, 415 (1973).Google Scholar
[6] Yasuda, H., Takasugi, T. and Koiwa, M., Acta Metall. 40–2, 381 (1992).Google Scholar
[7] Taub, A. I. and Briant, C. L., Acta Metall. 35, 1597 (1987).Google Scholar
[8] Takasugi, T. and Izumi, O., Acta Metall. 33, 1247 (1985).Google Scholar
[9] Eberhart, M. E. and Vvedensky, D. D., Phys. Rev. Lett. 58, 61 (1987).Google Scholar
[10] Fine, M. E., Brown, L. D., and Marcus, H. L., Scripta Metall. 18, 951 (1984).Google Scholar
[11] Pugh, S.F. Phil. Mag. 45, 823 (1954).Google Scholar
[12] Huntington, H. B., The Elastic Constants of Crystals, (Academic Press, 1958).Google Scholar
[13] Price, D.L. and Cooper, B.R. Phys. Rev. B 39, 4945 (1989).Google Scholar
[14] Chadi, D. J. and Cohen, M. L., Phys. Rev. B 8, 5747 (1973).Google Scholar
[15] Wu, R., private communication (1995).Google Scholar
[16] Smithell's Metals Reference Book, 6th ed., edited by Brandes, E. (Butterworths, London, 1983).Google Scholar
[17] Yoo, M.H., Fu, C.L. and Horton, J.A. Materials Science and Engineering, A176, 431 (1994).Google Scholar
[18] Fu, C. L. and Yoo, M.H., Mat. Chem. and Phys. 32, 32 (1992).Google Scholar
[19] Hill, R. Proc. Phys. Soc. A65, 349 (1952).Google Scholar