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Quantum-Informed Metal-Hydride Hydrogen Storage: Physics-Consistent Multiscale Modeling, Predictive Control, and Digital Twin Framework

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Preprints.org
DOI
10.20944/preprints202511.0893.v1

Classical macroscopic models of metal–hydride (MH) hydrogen storage rely on empirical Arrhenius laws that neglect quantum phenomena such as tunneling, zero-point motion, and hydrogen–lattice interactions. As a result, their predictive and control performance degrade across wide temperature ranges, particularly in cryogenic regimes where quantum transport remains active. This paper presents a unified quantum-informed diffusion and control framework that bridges microscopic hydrogen–lattice physics with macroscopic predictive control. A temperature-dependent quantum correction operator is incorporated into the classical diffusion law, yielding an analytically tractable yet physically enriched model. Parameters are identified through weighted robust regression with bootstrap-based uncertainty quantification and integrated into a model predictive control (MPC) scheme that adapts to temperaturedependent dynamics. Simulation results show that tunneling-enhanced diffusion improves lowtemperature response and reduces steady-state error and control effort by up to 50% compared with classical Arrhenius-based control. While the present study focuses on numerical validation, the proposed architecture establishes a transferable foundation for digital-twin development—linking microscopic quantum transport and system-level predictive control for next-generation hydrogen storage technologies.

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