From Local Atomic Motifs to Thermodynamic State: An Interpretable Physics-Informed Framework for Cu-Zr Metallic Glasses
Machine-learning models that relate local atomic structure to the thermodynamic state of metallic glasses typically assess physical consistency after training rather than enforcing it during learning. Here, we develop a multi-task physics-informed neural network (PINN) that predicts temperature directly from Voronoi-mo...