Fig. 7: Accuracy and performance of NNP on the dislocation in ZnO.
From: Neural network potential for dislocation plasticity in ceramics
a, b Atomic structure of the basal glide-set 60° partial dislocation dipole with Zn core and O core: a viewed along the dislocation line, and b viewed perpendicular to the (0001) plane of the region outlined by the black dashed rectangle in (a). The black broken line in (b) represents dislocation lines along the cores. c Dislocation dipole model with periodic quadrupolar arrangements composed of positively charged (Zn core) and negatively charged (O core) basal glide-set 60° partial dislocations, where one dislocation is displaced by a distance d from its initial position. The periodic cell of the arrangement is shown by the green-shaded area. d Energy change ΔE of the dislocation dipole model as a function of the displacement d, with a model size of (n, m) = (12,4).
