Quantum-Informed Metal-Hydride Hydrogen Storage: Physics-Consistent Multiscale Modeling, Predictive Control, and Digital Twin FrameworkPrepare for submission.
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 \emph{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 temperature-dependent dynamics. Simulation results show that tunneling-enhanced diffusion improves low-temperature 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 \emph{digital-twin development}—linking microscopic quantum transport and system-level predictive control for next-generation hydrogen storage technologies. |