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Generalized solid-state nudged elastic band calculations are conducted based on DFT for all symmetrically inequivalent paths between the first-nearest-neighbor face-sharing interstitial sites. The hydrogen migration barriers are substantially higher for the paths that require breaking a Ti-H bond than for those that require breaking a Cr-H bond. Molecular dynamics (MD) simulations with the MLIPs also demonstrate that hydrogen migration occurs more frequently within the hexagonal rings made of the A$_2$B$_2$ interstitial paths, each requiring the breaking of Cr-H bonds, than along the inter-ring paths. The diffusion coefficients of hydrogen obtained from the MD simulations reveal a non-monotonic dependence on hydrogen concentration, which is more pronounced at lower temperatures. Time-averaged radial distribution functions of hydrogen further show that hydrogen avoids face-sharing positions during diffusion and that the hydrogen occupancy at the second-nearest-neighbor edge-sharing positions increases with increasing hydrogen concentration. The diffusion coefficients of hydrogen within 400-1000 K follow an Arrhenius relationship, with activation barriers consistent with most experimental values. One-order of magnitude overestimation of diffusion coefficients compared with some experiments suggests a substantial impact of hydrogen trapping by defects such as Cr vacancies and Ti anti-sites in non-stoichiometric TiCr$_2$ in experiments."],"publicationDate":"2026-04-01","publisher":"Elsevier BV","embargoEndDate":"2025-11-01","sources":["Crossref"],"formats":null,"contributors":null,"coverages":null,"bestAccessRight":{"code":"c_abf2","label":"OPEN","scheme":"http://vocabularies.coar-repositories.org/documentation/access_rights/"},"container":{"name":"Acta 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