An investigation was made of the self-energy of elliptical dislocation loops in anisotropic crystals and the functional dependences upon loop circumference, shape, and dislocation core radius were determined. Systematic numerical calculations using the anisotropic point force Green’s function method were carried out with the goal of developing an analytical expression for the self-energy associated with these loops. The resultant formula was shown to predict accurately the self-energies for elliptical loops in anisotropic crystals, as well as the self-energies for simple loop configurations in isotropic crystals, for which analytical expressions existed. This expression was used to predict the critical shell thickness which corresponded to defect-free core/shell nanowires and, for the first time, to consider the effect of image energy due to the finite size of nanowires in anisotropic media using the boundary element method. Consequently, self-energy in nanowires was corrected by an energy factor. Moreover, the dependence of the critical shell thickness on growth direction was considered, with <110>-nanowire having the largest, <111>-nanowire the next-largest, and <112>-nanowire the finest.

Self-Energy of Elliptical Dislocation Loops in Anisotropic Crystals and Its Application for Defect-Free Core/Shell Nanowires. H.J.Chu, J.Wang, C.Z.Zhou, I.J.Beyerlein: Acta Materialia, 2011, 59[18], 7114-24