The paper considers of the coincidence-site lattice (CSL) model modification, which is used to investigate grain boundary energy of special and arbitrary boundaries. Grain boundary energy is a determining parameter in some inelastic deformation processes, such as recrystallization and grain boundary sliding. The applicability problem of the CSL model modification for various types of boundaries and the problem determination of its parameters (the grain boundary normal, the number of atoms in the considered volume material, and the distance between “coincident” atoms) are considered. The CSL model modification research has shown that the normal orientation does not affect the average grain boundary energy value, the smallest number of atoms on the edge for face-centered cubic crystals lattice is 8, the rational distance between “coincident” atoms is 0,1 of the lattice period.

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