Deep generative spatiotemporal learning for integrating fracture mechanics in composite materials: inverse design, discovery, and optimization

Abstract

The trade-off between strength and toughness presents a fundamental challenge in engineering material design. Composite materials (CMs) can strategically arrange different materials to enhance both strength and toughness by optimizing the distribution of loads and increasing resistance to crack propagation. However, current data-driven computational modeling approaches for CM configuration optimization suffer from limitations of "substantial computational cost" and "poor predictive power over extrapolation spaces", making it difficult to integrate with global optimization algorithms, and ultimately limiting the discovery of materials with optimal tradeoffs. As a breakthrough, we propose a data-driven design framework with a multi-task DL architecture capable of accurately predicting local fields' spatiotemporal behavior, including stress evolution and crack propagation, alongside homogenized mechanical properties. Our model, trained on datasets generated from crack phase fields simulations of random configurations, demonstrated exceptional predictive performance even for unseen configurations with well organized patterns exploiting nature-inspired morphological features. Importantly, solely from composite material (CM) configurations, our model effectively predicts long-term spatiotemporal fields with an accuracy comparable to FEM but with a substantial reduction in computational time. By coupling the model's predictive power with genetic optimization algorithms, we demonstrated the framework's applicability in two representative inverse design tasks: devising CM configurations with mechanical properties beyond the training set and guiding desired crack pattern formation. Our research highlights the potential of artificial intelligence as a feasible alternative to conventional computational approaches for straightforward configurational and structural optimization.