Diffusion Mechanism of H and O at the Interstitial Sites of a Ti-Zr Alloy Sorbent: A First-Principles Investigation

Yang Zhu, Qian-Xu Wang, Wei-Cheng Sun,Fang Wang, Hui-Hui Hong, Bin Li,Feng-Lei Qi, Yu-Qing Wang,Yuan-Lai Xie,Chang-Qi Chen,Jin-Xia Liang

CHEMICAL PHYSICS（2025）

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Key words

Titanium-zirconium alloy,Diffusion mechanism,Non-evaporable getter,First-principles calculation,Fusion device

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