A Structural Model for Grain Boundaries in Pure Metals

Abstract
The transition lattice between two crystals of different orientations in a metallic bicrystal is computed on the basis of simple geometric assumptions. The individual displacement of each atom can be described for any type of boundary. The resulting structure obviously coincides with the dislocation array for low misorientations. From this model, a part of the grain boundary's energy can be calculated with a non‐central force assumption; the results for tilt boundaries around 〈001〉 in aluminium show a strong dependence on misorientation.