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

Abstract:

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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.

Info:

Periodical:

Materials Science Forum (Volumes 654-656)

Main Theme:

Edited by:

Jian-Feng Nie and Allan Morton

Pages:

942-945

DOI:

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

Citation:

T. Uesugi and K. Higashi, "Solute Segregation at Σ11(113)[110] Grain Boundary and Effect of the Segregation on Grain Boundary Cohesion in Aluminum from First Principles", Materials Science Forum, Vols. 654-656, pp. 942-945, 2010

Online since:

June 2010

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$35.00

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