A generalized Peierls-Nabarro model was presented for curved dislocations which directly incorporated the Peierls energies for both straight dislocations and dislocation kinks. In this model, the anisotropic elastic energy was calculated efficiently using the discrete Fourier transform on the discrete lattice sites of the slip plane, and the discreteness in both the elastic energy and the misfit energy was included. The model was used to calculate the kink migration and nucleation energies of the 30° dislocations in silicon. The results agreed well with those obtained using atomistic potentials and first-principles calculations, and experimental results.

A Generalized Peierls-Nabarro Model for Kinked Dislocations. W.He, X.Yang: Philosophical Magazine, 2009, 89[27], 2333-54