Abstract Scope |
Accurately predicting the phases and stress-strain curves of alloys, considering both chemistry and microstructural variations, is a significant challenge in materials science. One major hurdle is accounting for statistical uncertainty from microstructural and chemical heterogeneities. We present a new approach combining physics-based modeling with data-driven techniques, validated by extensive experimental data, to predict phases and stress-strain curves of FCC and BCC metals, including multiprincipal element alloys (MPEAs). Our multiscale theoretical model, based on dislocation plasticity, predicts strength as a function of microstructural features. A data-driven model, trained on experimental data, captures the evolution of dislocation density within grains, using features like average grain size, applied strain, and lattice constants. Integrating these components, our framework accurately predicts phases and stress-strain curves, demonstrating excellent agreement with experimental results and reducing uncertainty in predictions, thus guiding the design and optimization of advanced materials with tailored properties. |