Lumina: An AI-Augmented Multiscale Material Informatics Framework for Extreme Aero-Chemo-Thermo-Mechanical Regimes

Abstract

Predictive simulations and experimental design involving extreme aero-chemo-thermo-mechanical regimes require high-fidelity material representation across diverse physical states. However, data for metals, polymers, and propellants, explosives, and pyrotechnics (PEP) remain fragmented, obstructing traceability for formulators, experimentalists, and simulation engineers. This work introduces Lumina, a modular Python-based informatics framework that centralizes multiscale material data from atomistic simulation datasets to macro-scale experimental records, within a unified repository. Lumina employs a hierarchical XML-based schema and a dynamic runtime parsing mechanism to enable schema-independent parameter extraction. Beyond storage, the platform provides computational modules to visualize model fits, allowing experimentalists to optimize design of experiments (DoE) and formulators to validate chemical behaviors against benchmarks. This structured architecture serves as a high-fidelity pipeline for training machine learning models and enhancing the accuracy of predictive simulations. To streamline multi-disciplinary workflows, Lumina integrates a conversational AI assistant for intelligent material retrieval and natural language querying. By consolidating multiscale data into an extensible ecosystem, Lumina provides a scalable foundation for data-driven discovery and predictive modeling in advanced defense and aerospace engineering.