Isotope engineering achieved by local coordination design in Ti-Pd co-doped ZrCo-based alloys

Jiacheng Qi, Xu Huang, Xuezhang Xiao (), Xinyi Zhang, Panpan Zhou, Shuoqing Zhang, Ruhong Li, Huaqin Kou (), Fei Jiang, Yong Yao, Jiangfeng Song, Xingwen Feng, Yan Shi, Wenhua Luo and Lixin Chen ()
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Jiacheng Qi: Zhejiang University
Xu Huang: China Academy of Engineering Physics
Xuezhang Xiao: Zhejiang University
Xinyi Zhang: Zhejiang University
Panpan Zhou: Zhejiang University
Shuoqing Zhang: Zhejiang University
Ruhong Li: Zhejiang University
Huaqin Kou: China Academy of Engineering Physics
Fei Jiang: China Academy of Engineering Physics
Yong Yao: China Academy of Engineering Physics
Jiangfeng Song: China Academy of Engineering Physics
Xingwen Feng: China Academy of Engineering Physics
Yan Shi: China Academy of Engineering Physics
Wenhua Luo: China Academy of Engineering Physics
Lixin Chen: Zhejiang University

Nature Communications, 2024, vol. 15, issue 1, 1-12

Abstract: Abstract Deuterium/Tritium (D/T) handling in defined proportions are pivotal to maintain steady-state operation for fusion reactors. However, the hydrogen isotope effect in metal-hydrogen systems always disturbs precise D/T ratio control. Here, we reveal the dominance of kinetic isotope effect during desorption. To reconcile the thermodynamic stability and isotope effect, we demonstrate a quantitative indicator of Tgap and further a local coordination design strategy that comprises thermodynamic destabilization with vibration enhancement of interstitial isotopes for isotope engineering. Based on theoretical screening analysis, an optimized Ti-Pd co-doped Zr0.8Ti0.2Co0.8Pd0.2 alloy is designed and prepared. Compared to ZrCo alloy, the optimal alloy enables consistent isotope delivery together with a three-fold lower Tgap, a five-fold lower energy barrier difference, a one-third lower isotopic composition deviation during desorption and an over two-fold higher cycling capacity. This work provides insights into the interaction between alloy and hydrogen isotopes, thus opening up feasible approaches to support high-performance fusion reactors.

Date: 2024
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DOI: 10.1038/s41467-024-47250-3

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