Fig. 10: Accuracy and performance of NNP on the dislocation in SrTiO3.
From: Neural network potential for dislocation plasticity in ceramics
a Positively and b negatively charged 〈110〉 mixed full dislocations in c the dislocation dipole model, which has a 〈111〉 line vector and a {1\(\overline{1}\)0} slip plane. Black circles highlight the oxygen atoms at the dislocation core. For the charge-balanced dislocation core, one of the extra oxygen atoms at the dislocation core was moved from (b) to (a). d Charge-balanced 〈110〉 mixed dislocation in its glide dissociated form, cut from a larger dislocation dipole model. The locations of partial dislocations, determined based on the Sr-O FCC sublattice via the dislocation extraction algorithm (DXA)95, are highlighted by blue ⊥ symbols.
