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Theoretical study of phase stability in Ni-Al and Ni-Ti alloys

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Journal of Phase Equilibria

Abstract

The thermodynamic stability of the bcc and fcc based ordered phases in Ni-Ti and Ni-AI has been studied with a highly accurate first-principles electronic structure method. The occurrence of a martensitic transformation in Ni-AlB2 ordered intermetallic alloys is discussed with relation to the existence of intermediate structures between bcc and fcc based phases. It is shown that closely related ordered structures can exist on fcc and bcc lattices in the composition range where the transformation occurs. The Ni-rich side of the Ni-Al phase diagram has been computed, and a comparison with a recent assessment is made. In addition, the rather unusual appearance of the NiTi B2 ordered structure in the phase diagram is discussed.

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Author information

Authors and Affiliations

  1. Chemistry and Materials Science Dept., Lawrence Livermore National Laboratory, P.O. Box 808, L-268, Livermore, CA, 94550

    M. Sluiter & P. E. A. Turchi

  2. Department of Physics, University of Cincinnati, 45221, Cincinnati, OH

    F. J. Pinski

  3. Oak Ridge National Laboratory, Metals and Ceramics Division, 37831, Oak Ridge, TN

    G. M. Stocks

Authors
  1. M. Sluiter
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  2. P. E. A. Turchi
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  3. F. J. Pinski
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  4. G. M. Stocks
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Additional information

This paper was presented at the International Phase Diagram Prediction Symposium sponsored by the ASM/MSD Thermodynamics and Phase Equilibria Committee at Materials Week, October 21–23,1991, in Cincinnati, Ohio. This symposium was organized by John Morral, University of Connecticut, and Philip Nash, Illinois Institute of Technology.

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Sluiter, M., Turchi, P.E.A., Pinski, F.J. et al. Theoretical study of phase stability in Ni-Al and Ni-Ti alloys. JPE 13, 605–611 (1992). https://doi.org/10.1007/BF02667208

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  • DOI: https://doi.org/10.1007/BF02667208

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