Hostname: page-component-54dcc4c588-sdd8f Total loading time: 0 Render date: 2025-10-13T02:44:13.967Z Has data issue: false hasContentIssue false
  • English
  • Français

A First Principles Examination of Phase Stability in Fcc-Based Ni-V Substitutional Alloys

Published online by Cambridge University Press:  28 February 2011

J. Mikalopas ,
P.E.A. Turchi ,
M. Sluiter  and
P.A. Sterne
J. Mikalopas
Affiliation:
Lawrence Livermore National Laboratory, L-268, Livermore, CA 94550
P.E.A. Turchi
Affiliation:
Lawrence Livermore National Laboratory, L-268, Livermore, CA 94550
M. Sluiter
Affiliation:
Lawrence Livermore National Laboratory, L-268, Livermore, CA 94550
P.A. Sterne
Affiliation:
Lawrence Livermore National Laboratory, L-268, Livermore, CA 94550
Get access

Abstract

The phase stability of fcc-based Ni-V substitutional alloys is investigated using linear muffin-tin orbitals total energy (LMTO) calculations. The method of Connolly and Williams (CWM) is used to extract many body interactions from the ground state energies of selected ordered configurations. These interactions are used in conjunction with the cluster variation method (CVM) to calculate the alloy phase diagram. The dependence of the interactions on the choice of configurations used to calculate them is examined.

Information

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 186: Symposium I – Alloy Phase Stability and Design , 1990 , 83
Copyright
Copyright © Materials Research Society 1991

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.)

Article purchase

Temporarily unavailable

References

1. Liu, C.T., Int. Metals Rev 29 168 (1984)Google Scholar
2. Pei, S. et al. Phys Rev B 39 5767 (1989); J.H.Xu et. al. Phys. Rev. B 5,6940 (1987)Google Scholar
3. Massalski, T.B., Binary Alloy Phase Diagrams, (American Society for Metals, Metal Park, Ohio 1986 ), Vol 2. p.1769 Google Scholar
4. Sluiter, M., Turchi, P.E.A., Phys. Rev. B 40 11215 (1989)Google Scholar
5. Skriver, H.L., The LMTO Method. Vol. 41 of Topics in Solid State Sciences (Springer-Verlag, New York, 1984)Google Scholar
6. Barth, U. von and Hedin, L., J. Phys. C 5 1629 (1972)Google Scholar
7. Villars, P. and Calvert, L.D., Pearson's Handbook of Crstallographic Data for Intermetallic Phases, (American Society for Metals, Metal Park, Ohio 1986 ), Vol 3. p 2907 Google Scholar
8. Turek, P. and R, Kuentzler, Physica 107B. 257 (1981)Google Scholar
9. Connolly, J.W.D. and Williams, A.R., Phys. Rev B 27 15169 (1983) J.M.Sanchez and D. de Fontaine, in Structure and Bonding in Crystals, (Academic, New York, 1981) Vol. 2, p 117.Google Scholar
10. Sanchez, J.M., Ducastelle, F., and Gratias, D., Physica 128A.(1984); R. Kikuchi, Phys. Rev 81.988 (1951)Google Scholar
11. Kanamori, J. and Kakehashi, Y., J. Phys. (Paris) Colloq. 38, c7–274 (1977)Google Scholar