Bismuth embrittlement of copper is an atomic size effect

R. Schweinfest, Anthony Paxton, M.W. Finnis

Research output: Contribution to journalArticlepeer-review

146 Citations (Scopus)

Abstract

Embrittlement by the segregation of impurity elements to grain boundaries is one of a small number of phenomena that can lead to metallurgical failure by fast fracture(1). Here we settle a question that has been debated for over a hundred years(2): how can minute traces of bismuth in copper cause this ductile metal to fail in a brittle manner? Three hypotheses for Bi embrittlement of Cu exist: two assign an electronic effect to either a strengthening(3) or weakening(4) of bonds, the third postulates a simple atomic size effect(5). Here we report first principles quantum mechanical calculations that allow us to reject the electronic hypotheses, while supporting a size effect. We show that upon segregation to the grain boundary, the large Bi atoms weaken the interatomic bonding by pushing apart the Cu atoms at the interface. The resolution of the mechanism underlying grain boundary weakening should be relevant for all cases of embrittlement by oversize impurities.
Original languageEnglish
Pages (from-to)1008-1011
Number of pages4
JournalNature
Volume432
Issue number7020
DOIs
Publication statusPublished - 23 Dec 2004

ASJC Scopus subject areas

  • General

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