An Elasto-Chemical Theory of Grain Boundaries.

Abstract : An infinite periodic heterophase dislocation array is used as a model of a tilt boundary near the melting point of a crystalline solid. The elastic interaction among dislocations is included via a traction-free-core boundary condition. The elastic energy is coupled to the chemical energy from the core by an energy minimization scheme of the core radius. The theory yields the total grain boundary energy as function of tilt misorientation, which is found to compare favorably with experiments on bismuth.