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Phase Stability and Site Substitution in NB-AL Compounds

Published online by Cambridge University Press:  22 February 2011

M. Sluiter ,
M. Takahashi  and
Y. Kawazoe
M. Sluiter
Affiliation:
Institute for Materials Research, Tohoku University, 980–77 Sendai, Japan
M. Takahashi
Affiliation:
Institute for Materials Research, Tohoku University, 980–77 Sendai, Japan
Y. Kawazoe
Affiliation:
Institute for Materials Research, Tohoku University, 980–77 Sendai, Japan
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Abstract

The site preferences of Ta, Mo, and W in A15 Nb3Al, the phase stability of off-stoichiometric A15 Nb3Al, and the atomic order of the Nb2Al D8b (σ) phase are investigated by performing electronic structure calculations based on the local density approximation. Mo, W, and Ta are found to have a preference for the Nb sublattice. Ta has the strongest site preference. It was shown that some recently proposed ground states for off-stoichiometric A15 phases are unlikely to occur in the Nb-Al system. Moreover, it was shown that the atomic order in the D8b Nb2Al phase contributes significantly to its stability.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 364: Symposium L – High-Temperature Ordered Intermetallic Alloys–VI , 1994 , 1111
Copyright
Copyright © Materials Research Society 1995

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References

1. Wu, Y.P., Tso, N.C., Sanchez, J.M. and Tien, J.K., Acta Met. 37, 2835 (1989).Google Scholar
2. Sluiter, M., Takahashi, M., and Kawazoe, Y., submitted to Acta Met. (1994).Google Scholar
3. Podloucky, R., Zeller, R., and Dederichs, P. H., Phys. Rev. B 22, 5777 (1980).Google Scholar
4. Skriver, H.L., The LMTO Method, Springer series in Solid State Sciences, Vol. 41, (Springer, Heidelberg, 1983).Google Scholar
5. Sluiter, M. and Kawazoe, Y., Phys. Rev B accepted for publication 1995; and references cited therein; M. Sluiter, M. Takahashi, and Y. Kawazoe, Site Preference of Ternary Additions in Ni3Al, this Volume.Google Scholar
6. Guard, R.W. and Westbrook, J.H., Trans. Met. Soc. AIME 215, 810 (1959).Google Scholar
7. Ochiai, S., Oya, Y. and Suzuki, T., Acta Met. 32, 289 (1984).Google Scholar
8. Lundin, C.E. and Yamamoto, A.S., Trans. AIME 236, 863 (1966).Google Scholar
9. de Boer, F.R., Boom, R., Mattens, W.C.M., Miedema, A.R., and Niessen, A.K., Cohesion in Metals: Transition Metal Alloys, Cohesion and Structure Vol. 1, (North-Holland, Amsterdam, 1988) p. 393.Google Scholar
10. Turchi, P. and Finel, A., Phys. Rev. B 46, 702 (1992).Google Scholar
11. Aindow, M., Smith, L.S., Shyue, J., Loretto, M.H., and Fraser, H.L., Phil. Mag. Lett. 69, 23 (1994).Google Scholar
12. Villars, P. and Calvert, L.D. Pearson’s Handbook of Crystallographic Data for Intermetallic Phases, (ASM, Metals Park, OH, 1985).Google Scholar