Grain boundary and surface energies of fcc metals

D. Udler, David N Seidman

Research output: Contribution to journalArticle

37 Citations (Scopus)

Abstract

Interfacial energies of five high-angle singular grain boundaries (GBșs) in seven fcc metals—Ag, Al, Au, Cu, Ni, Pd, and Pt—are calculated employing lattice statics at 0 K using embedded-atom-method potentials. The results disagree with predictions of broken-bond models. The GB energies, however, exhibit a good linear relationship with the (Formula presented) elastic constants of these elements. This implies the existence of a characteristic GB length serving as a proportionality coefficient between GB energy and (Formula presented). The results for GB energies are compared with theoretical results on surface/vacuum interfacial energies for the same metals.

Original languageEnglish (US)
Pages (from-to)R11133-R11136
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume54
Issue number16
DOIs
StatePublished - Jan 1 1996

Fingerprint

Interfacial energy
surface energy
Grain boundaries
grain boundaries
Metals
interfacial energy
metals
energy
embedded atom method
Elastic constants
elastic properties
Vacuum
Atoms
vacuum
coefficients
predictions

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

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abstract = "Interfacial energies of five high-angle singular grain boundaries (GBșs) in seven fcc metals—Ag, Al, Au, Cu, Ni, Pd, and Pt—are calculated employing lattice statics at 0 K using embedded-atom-method potentials. The results disagree with predictions of broken-bond models. The GB energies, however, exhibit a good linear relationship with the (Formula presented) elastic constants of these elements. This implies the existence of a characteristic GB length serving as a proportionality coefficient between GB energy and (Formula presented). The results for GB energies are compared with theoretical results on surface/vacuum interfacial energies for the same metals.",
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Grain boundary and surface energies of fcc metals. / Udler, D.; Seidman, David N.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 54, No. 16, 01.01.1996, p. R11133-R11136.

Research output: Contribution to journalArticle

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