Elastic Properties and Electronic Structure of L12 (Al,Si)3Sc

Abstract:

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The method of ultrasoft pseudopotential within the generalized gradient approximation has been employed to study the elastic constants and electronic structure of (Al,Si)3Sc precipitate with L12 structure in Al-base alloys. Based on the calculated results, the elastic properties of (Al,Si)3Sc precipitate were investigated. The Young’s and shear modulus of the polycrystals for (Al,Si)3Sc precipitate were calculated using Voigt-Reuss-Hill averaging scheme. The calculated results of elastic properties showed that the (Al,Si)3Sc precipitate has a strengthening effect in the Al matrix, owing to the larger shear modulus differences between (Al,Si)3Sc and Al matrix. The calculated results also showed that (Al,Si)3Sc precipitate is brittle in nature.

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Periodical:

Advanced Materials Research (Volumes 284-286)

Main Theme:

Edited by:

Xiaoming Sang, Pengcheng Wang, Liqun Ai, Yungang Li and Jinglong Bu

Pages:

1987-1990

DOI:

10.4028/www.scientific.net/AMR.284-286.1987

Citation:

Q. Yao "Elastic Properties and Electronic Structure of L12 (Al,Si)3Sc", Advanced Materials Research, Vols. 284-286, pp. 1987-1990, 2011

Online since:

July 2011

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$35.00

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