most citedStructural and chemical embrittlement of grain boundaries by impurities: a general theory and first principles calculations for copper

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cond-mat.mtrl-sci2006★ 158 cited

Structural and chemical embrittlement of grain boundaries by impurities: a general theory and first principles calculations for copper

A. Y. Lozovoi, A. T. Paxton, M. W. Finnis

First principles calculations of the Sigma 5 (310)[001] symmetric tilt grain boundary in Cu with Bi, Na, and Ag substitutional impurities provide evidence that in the phenomenon of…