Paper Title:
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.

  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, 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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