Fig. 2: Fracture predictions of Fe-GAP18 trained on Dragoni et al. original database31.
From: Atomistic fracture in bcc iron revealed by active learning of Gaussian approximation potential
a Maximum model uncertainty during fracture simulations of four crack systems. The dashed line indicates the 10 meV per atom, and the arrows indicate the configuration shown in (b). b Simulation snapshots coloured by the model uncertainty. Note that this is a new version of Fe-GAP18 trained on the database by Dragoni et al. using an optimised descriptor37 (see section Methods: GAP training).
