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Design of High Elastic Modulus Alloy Using First Principles Electronic Theory
Published online by Cambridge University Press: 28 February 2011
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.
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- Copyright © Materials Research Society 1991