Atomic size effect in impurity indued grain boundary embrittlement

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dc.creatorGeng, W. T.
dc.creatorFreeman, A. J.
dc.creatorOlson, G. B.
dc.date2005-08-01
dc.date.accessioned2026-07-07T03:06:11Z
dc.date.available2026-07-07T03:06:11Z
dc.descriptionBismuth segregated to the grain boundary in Cu is known to promote brittle fracture of this material. Recently, Schweinfest et al. reported first-principles quantum mechanical calculations on the electronic and structural properties of a Cu grain boundary with and without segregated Bi and argue that the grain boundary weakening induced by Bi is a simple atomic size effect. But their conclusion is invalid for both Bi and Pb because it fails to distinguish the chemical and mechanical (atomic size) contributions, as obtained with our recently developed first-principles based phenomenological theory.
dc.description4 pages
dc.identifierhttps://arxiv.org/abs/cond-mat/0508029
dc.identifierhttp://arxiv.org/abs/cond-mat/0508029
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/26715
dc.subjectMaterials Science
dc.titleAtomic size effect in impurity indued grain boundary embrittlement
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