Grain boundary and surface energies of fcc metals.

Interfacial energies of five high-angle singular grain boundaries ~GB’s! 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 c44 elastic constants of these elements. This implies the existence of a characteristic GB length serving as a proportionality coefficient between GB energy and c44 . The results for GB energies are compared with theoretical results on surface/vacuum interfacial energies for the same metals. @S0163-1829~96!53540-X#