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A first-principles study of hydrogen dissolution, diffusion, and vacancy trapping in Fe16N2
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DOI：10.1016/j.jssc.2026.126166.png)
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Abstract
En 中文
• Fe vacancies enable spontaneous H uptake and strong vacancy-H trapping. • Interstitial H increases the uniaxial anisotropy constant with a slight reduction in saturation. • Hydrogen diffuses readily in Fe16N2, but coupled H-vacancy migration is unfavorable.
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