Modification of the Peierls–Nabarro model for misfit dislocation
Zhang Shujun, Wang Shaofeng
       

(a) Interface displacements along the x direction: the green and blue solid curves represent the theoretical predictions for uxaanduxb taking account of the discreteness correction to the misfit dislocation equation, the green and blue dashed curves represent the theoretical results without these corrections, and the green and blue filled circles represent the respective results of the numerical simulation. (b) Comparison between theoretical and numerical results for the interface displacement along the y direction: the green and blue solid curves represent the theoretical predictions for uyaanduyb , and the green and blue filled circles represent the numerical results. (c) Comparison between theoretical and numerical results for the interfacial atomic configuration: the green and blue open circles represent the theoretical predictions, and the red filled circles represent the results of a numerical simulation based on a first-principles calculation after full relaxation.