This work explores the suggestion that the temperature dependence of the grain boundary free energy could be estimated from the temperature dependence of the elastic constants. The temperature-dependent elastic constants and free energy of a symmetric Σ79 tilt boundary were computed for an embedded atom method model of Ni. The grain boundary free energy scaled with the product of the shear modulus times the lattice constant for normalised temperatures of up to about 0.75.

Temperature Dependence of Grain Boundary Free Energy and Elastic Constants. S.M.Foiles: Scripta Materialia, 2010, 62[5], 231-4