Using Deep Learning to Predict Fracture Patterns in Crystalline Solids

Fracture is a catastrophic process whose understanding is critical for evaluating the integrity and sustainability of engineering materials. Here, we present a machine-learning approach to predict fracture processes connecting molecular simulation into a physics-based data-driven multiscale model. Based on atomistic modeling and a novel image-processing approach, we compile a comprehensive training dataset featuring fracture patterns and toughness values for different crystal orientations. Assessments of the predictive power of the machine-learning model shows excellent agreement not only regarding the computed fracture patterns but also the fracture toughness values and is examined for both mode I and mode II loading conditions. We further examine the ability of predicting fracture patterns in bicrystalline materials and material with gradients of microstructural crystal orientation. These results further underscore the excellent predictive power of our model. Potential applications of this model could be widely applied in material design.