Elastically non-linear discrete model for core of edge dislocation

Abstract

To facilitate the modeling of crystal defects on their core scales, the present paper introduces a discrete stress balance equation that admits non-linear elasticity of the defected crystal cell and its arbitrary boundary conditions. Thus, the cell may be free or embedded into continuum. In the latter case, when considering a sufficiently large domain tractable by the proposed method, boundary forces can be related to long-range stresses of the defect. For a case study, an edge dislocation in the primitive cubic lattice is simulated to assess influence of the crystal dimensions and elastic properties on the microscopic discrete core.