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Interfacial energies of five high-angle singular grain boundaries ͑GB's͒ 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 c 44 elastic constants of these elements. This implies the existence of a characteristic GB length serving as a proportionality coefficient between GB energy and c 44. The results for GB energies are compared with theoretical results on surface/vacuum interfacial energies for the same metals.

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Detailed Monte Carlo simulations are performed of solute‐atom segregation at (002) twist boundaries in the Au–Pt system at 850 K; the particular single‐phase bicrystal alloys studied are Pt–1 at% Au and Au–1 at% Pt. The emphasis in this paper is on studying the distribution of solute atoms at low‐angle boundaries. For the Pt–1 at% Au alloy the distribution of sites enhanced in the solute species Au is found to form a bipyramid based on the square cells of the orthogonal primary grain boundary screw dislocations. In the case of the Au–1 at% Pt alloy the solute species Pt is found to be depleted and it also forms a similar bipyramidal pattern. The Gibbsian interfacial excesses of Au and Pt are found to be positive and negative, respectively, for the Pt–1 at% Au and Au–1 at% Pt bicrystal alloys. The absolute values of these Gibbsian interfacial excesses both increase with increasing twist angle.