Solute Segregation at Σ11(113)[110] Grain Boundary and Effect of the Segregation on Grain Boundary Cohesion in Aluminum from First Principles

Tokuteru Uesugi; Kenji Higashi

doi:10.4028/www.scientific.net/MSF.654-656.942

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Solute Segregation at Σ11(113)[110] Grain Boundary and Effect of the Segregation on Grain Boundary Cohesion in Aluminum from First Principles
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HomeMaterials Science ForumMaterials Science Forum Vols. 654-656Solute Segregation at Σ11(113)[110] Grain Boundary...

Solute Segregation at Σ11(113)[110] Grain Boundary and Effect of the Segregation on Grain Boundary Cohesion in Aluminum from First Principles

Abstract:

We investigate the energy of segregation of solute Ca at symmetric tilt grain boundary in aluminum from the first-principles calculations. As energy of segregation of Ca is negative, Ca atoms tend to segregate at the grain boundary. Furthermore, on basis of the Rice-Wang model, we study the effect of the segregation of Ca on the grain boundary embrittlement of aluminum. Our first-principles calculations of energies of segregation at grain boundary and free surface show that Ca behaves as embrittler.

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Materials Science Forum (Volumes 654-656)

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942-945

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https://doi.org/10.4028/www.scientific.net/MSF.654-656.942

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June 2010

Authors:

Tokuteru Uesugi, Kenji Higashi

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Ab Initio, Aluminum (Al), First-Principle, Grain Boundary Segregation, Rice-Wang Model, Segregation Energy

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References

[1] K. Horikawa, S. Kuramoto, and M. Kanno: Acta Mater. Vol. 49 (2001), p.3981.

Google Scholar

[2] K. Horikawa, S. Kuramoto, and M. Kanno: Scripta Mater. Vol. 47 (2002), p.131.

Google Scholar

[3] S. P. Lynch: Scripta Mater. Vol. 47 (2002), p.125.

Google Scholar

[4] T. Uesugi, K. Tsuchiya, M. Kohyama, and K. Higashi: Mater. Sci. Forum Vol. 447-448 (2004), p.27.

Google Scholar

[5] Y. Inoue, T. Uesugi, Y. Takigawa, and K. Higashi: Mater. Sci. Forum Vol. 561-565 (2007), p.1837.

Google Scholar

[6] G. H. Lu, A. Suzuki, A. Ito, M. Kohyama, and R. Yamamoto: Philos. Mag. Lett. Vol. 81 (2001), p.757.

Google Scholar

[7] G. H. Lu, Y. Zhang, S. Deng, T. Wang, M. Kohyama, R. Yamamoto, F. Liu, K. Horikawa, and M. Kanno: Phys. Rev. B Vol. 73 (2006), p.224115.

Google Scholar

[8] M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos: Rev. Mod. Phys. Vol. 64 (1992), p.1045.

Google Scholar

[9] J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais: Phys. Rev. B Vol. 46 (1992), p.6671.

DOI: 10.1103/physrevb.46.6671

Google Scholar

[10] D. McLean: Grain Boundaries in Metals (Clarendon Press, Oxford, 1957), pp.116-149.

Google Scholar

[11] T.B. Massalski: Binary Alloy Phase Diagrams (ASM International, Materials Park, Ohio, 1986).

Google Scholar

[12] J. R. Rice and J. S. Wang: Mat. Sci. Eng. A Vol. 107 (1989), p.23.

Google Scholar