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Design of High Elastic Modulus Alloy Using First Principles Electronic Theory

Published online by Cambridge University Press:  28 February 2011

K. Masuda-Jindo  and
K. Terakura
K. Masuda-Jindo
Affiliation:
Department of Materials Science and Engineering, Tokyo Institute of Technology, Nagatsuta, Midori-ku, Yokohama 227, Japan
K. Terakura
Affiliation:
Institute for Solid State Physics, University of Tokyo, Roppongi, Minato-ku, Tokyo 106, Japan
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Abstract

The first principles ASW (augmented spherical wave) method is used to predict the elastic properties of Al-base and Ni-base fcc alloys. It is shown that the elastic modulus increase or decrease of the fcc alloys is closely correlated with the change in the lattice constants and that the results for various solute atoms can be summarized in the simple curves, depending on the species of the solute atoms. We demonstrate that the theoretical calculations for the binary alloys can be used for the design of the (multi-component) fcc alloys with desired elastic properties and lattice constants.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 186: Symposium I – Alloy Phase Stability and Design , 1990 , 271
Copyright
Copyright © Materials Research Society 1991

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