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Full Potential Lmto Study of Tial Alloy

Published online by Cambridge University Press:  28 February 2011

Pradeep K. Khowash
Affiliation:
Department of Physics, West Virginia University, Morgantown, WV, 26506
David L. Price
Affiliation:
Department of Physics, Memphis State University, TN, 38152
Bernard R. Cooper
Affiliation:
Department of Physics, West Virginia University, Morgantown, WV, 26506
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Abstract

We have used a full potential all electron LMTO total energy calculation with a true interstitial to establish a baseline understanding of pure γ-TiAl. The c and a lattice parameters, Bulk modulus and the Young's modulus are calculated and found to be in excellent agreement with reported experimental values.

Type
Research Article
Copyright
Copyright © Materials Research Society 1991

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