Simple structural unit model for core-dependent properties of symmetrical tilt boundaries

Abstract

Consider any physical property, p, of a grain boundary, which depends primarily on the atomic structure of the core, e.g., the boundary diffusivity or the core energy. This paper demonstrates that the recently determined structural unit model for the core structure allows one to estimate p for any boundary in a series of symmetrical tilt boundaries possessing a range of tilt angles if values of p for a few particular boundaries in the series are known. More specifically, we shall show that p for all boundaries with misorientations between those of two so-called ''favored boundaries'' can be estimated from a knowledge of the values of p for the two favored boundaries and the intermediate boundary made up of equal numbers of the structural units comprising the two favored boundaries. Applications of the results to measurements of boundary diffusivities and boundary energies are indicated briefly.