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 language||English (US)|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|State||Published - Jan 1 1996|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics