Schusteritsch G, Kühne TD, Guo ZX, Kaxiras E (2016)
Publication Type: Journal article
Publication year: 2016
Book Volume: 96
Pages Range: 2868-2886
Journal Issue: 27
DOI: 10.1080/14786435.2016.1217360
We investigate the changes in grain boundary sliding (GBS) and intergranular decohesion in copper (Cu), due to the inclusion of bismuth (Bi), lead (Pb) and silver (Ag) substitutional impurity atoms at a ∑5(0 1 2). symmetric tilt grain boundary (GB), using a first-principles concurrent multiscale approach. We first study the segregation behavior of the impurities by determining the impurity segregation energy in the vicinity of the GB. We find that the energetically preferred sites are on the GB plane. We investigate the intergranular decohesion of Cu by Bi and Pb impurities and compare this to the effect of Ag impurities by considering the work of separation, W
APA:
Schusteritsch, G., Kühne, T.D., Guo, Z.X., & Kaxiras, E. (2016). The effect of Ag, Pb and Bi impurities on grain boundary sliding and intergranular decohesion in Copper. Philosophical Magazine, 96(27), 2868-2886. https://dx.doi.org/10.1080/14786435.2016.1217360
MLA:
Schusteritsch, Georg, et al. "The effect of Ag, Pb and Bi impurities on grain boundary sliding and intergranular decohesion in Copper." Philosophical Magazine 96.27 (2016): 2868-2886.
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