Fig. 1: Summary of fracture simulations for crack system (100)[010], (100)[011], (110)[001], and \((110)[1\overline{1}0]\). | npj Computational Materials

Fig. 1: Summary of fracture simulations for crack system (100)[010], (100)[011], (110)[001], and \((110)[1\overline{1}0]\).

From: Atomistic fracture in bcc iron revealed by active learning of Gaussian approximation potential

Fig. 1

KIc is the critical stress intensity factor predicted by MS simulations. The letters above the symbols indicate the fracture mechanism observed in MS simulations with the different IAPs. C0 and C1 indicate cleavage on {100} and {110} planes that are different from the original crack plane. P and D indicate phase transformation and dislocation emission from the crack tip, respectively. A indicates amorphous structure forming at the crack tip. The crack propagates on the original crack plane if no symbol is specified. KG and KIe are predictions according to Griffith24 and Rice theories2 for cleavage and dislocation emission, respectively.

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