Preparation of high-entropy hydrogen permeation barrier with continuous crystal phase transition via confined magnetic field

Developing hydrogen-resistant materials requires a deeper understanding of hydrogen transport regulation. High-entropy systems, characterized by multicomponent chemical short-range ordering, present new opportunities for designing hydrogen permeation barriers (HPBs). However, the atomistic origins of their hydrogen-trapping efficacy remain obscured by structural complexity. Here, we prepared phase-pure (FeNiMnCrV)N_x coatings with controlled crystallographic evolution via co-filtered cathode arc deposition (Co-FCVA). Through nitrogen-mediated lattice distortion, we achieve (FeNiMnCrV)N_x sequential phase structure transitions from BCC to amorphous and then to FCC. By atomic-resolution characterization combined with diffusion kinetic analysis, the suppression mechanism of hydrogen permeation in high-performance barriers: the optimized hydrogen adsorption potential is achieved via specific crystallographic orientation selection in the FCC phase, while high-density grain boundary networks establish hierarchical hydrogen traps. Computational simulations reveal electron synergistic effects near the Fermi level that induce rugged energy landscapes for hydrogen migration. Furthermore, transition state simulation analyses the dimensionally constrained characteristics of hydrogen diffusion trajectories within crystal lattices. These findings provide a theoretical framework for the structure–activity relationship between crystal topology and chemical heterogeneity to synergistically regulate hydrogen permeation, clarify the synergistic hydrogen inhibition mechanism of adsorption potential field modulation and kinetic capture, and provide multi-scale theoretical support for the development of high-performance HPBs based on element optimization and interface design.