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

Qiang Yao

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

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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 284-286Elastic Properties and Electronic Structure of L12...

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

Abstract:

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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Advanced Materials Research (Volumes 284-286)

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1987-1990

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https://doi.org/10.4028/www.scientific.net/AMR.284-286.1987

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July 2011

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Qiang Yao

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Al Base Alloys, Elastic Property, Electronic Structure, First-Principle Calculations

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References

[1] Gabriel.M. Novotny and Alan.J. Ardell: Mater. Sci. and Eng. A Vol. 318 (2001), p.144

Google Scholar

[2] R.W. Hyland: Metall. Trans. A Vol. 23 (1992), p.(1947)

Google Scholar

[3] O. Jensrud, in: Proceeding of the third international aluminum-lithium conference, edited by C. Baker, P.J. Gregson, S.J. Harris, C.J. Peel, The Institute of Metals, London (1986).

Google Scholar

[4] G. Du, J.W. Deng, Y.L. Wang, D.S. Yan and L.J. Rong: Scripta Mater. Vol. 61 (2009), p.532

Google Scholar

[5] Y.H. Duan, Y. Sun, J. Feng and M.J. Peng: Physica B Vol.405 (2010), p.701

Google Scholar

[6] D. Vanderbilt: Phys. Rev. B Vol. 41 (1990), p.7892

Google Scholar

[7] J. P. Perdew, K.Burke and M.Ernzerhof: Phys. Rev. Lett. Vol. 77 (1996), p.3865

Google Scholar

[8] D. R. Bowler and M. J.Gillan: Chem. Phys. Lett. Vol. 325 (2000), p.473

Google Scholar

[9] T. H. Fischer and J. Almlof: J. Phys. Chem. Vol. 96 (1992), p.9768

Google Scholar

[10] M. Born and K. Huang: Dynamical Theory of Crystal Lattices (Clarendon Press, Oxford 1954).

Google Scholar

[11] O. L. Anderson: J. Phys. Chem. Solids Vol. 24 (1963), p.909

Google Scholar

[12] R.W. Hyland and R.C. Stiffler: Scripta Metall. Mater. Vol. 25 (1991), p.473

Google Scholar

[13] M.A. Meyers and K.K. Chawla: Mechanical Behavior of Materials (Prentice Hall, Upper Saddle River, NJ 1999)

Google Scholar

[14] S.F. Pugh: Philos. Mag. Vol. 45 (1954), p.823

Google Scholar

[15] D.G. Pettifor: Mater. Sci. Technol. Vol. 8 (1992), p.345

Google Scholar