Theoretical study of phase stability in Ni-Al and Ni-Ti alloys |
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Authors: | M Sluiter P E A Turchi F J Pinski G M Stocks |
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Affiliation: | 1. Chemistry and Materials Science Dept., Lawrence Livermore National Laboratory, P.O. Box 808, L-268, Livermore, CA, 94550 2. Department of Physics, University of Cincinnati, 45221, Cincinnati, OH 3. Oak Ridge National Laboratory, Metals and Ceramics Division, 37831, Oak Ridge, TN
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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.
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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