Computational investigation of relationship between shear stress and multicrystalline structure in silicon

We performed computational calculations by three-dimensional finite element analysis to investigate the relationship between the shear stress on slip planes and multicrystalline structural properties in Si, such as the grain orientation and the structure of the grain boundary. In our calculations, the change in multicrystalline structure is defined as the change in anisotropic elastic coefficient, which depends on the grain orientation. As a result, it becomes clear that the shear stress on slip planes depends on the grain orientation and concentrates near the grain boundary. Calculations in various multicrystalline structures reveal that controlling the growth direction in (100) or (110) has a great advantage for decreasing the shear stress on slip planes and resulting in the suppression of dislocation occurrence.