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通过局部配位设计在Ti-Pd共掺杂ZrCo基合金中实现同位素工程。

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

作者信息

Qi Jiacheng, Huang Xu, Xiao Xuezhang, Zhang Xinyi, Zhou Panpan, Zhang Shuoqing, Li Ruhong, Kou Huaqin, Jiang Fei, Yao Yong, Song Jiangfeng, Feng Xingwen, Shi Yan, Luo Wenhua, Chen Lixin

机构信息

State Key Laboratory of Silicon and Advanced Semiconductor Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou, 310058, Zhejiang, China.

Institute of Materials, China Academy of Engineering Physics, Mianyang, 621907, Sichuan, China.

出版信息

Nat Commun. 2024 Apr 3;15(1):2883. doi: 10.1038/s41467-024-47250-3.

DOI:10.1038/s41467-024-47250-3
PMID:38570487
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10991433/
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 T 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 ZrTiCoPd alloy is designed and prepared. Compared to ZrCo alloy, the optimal alloy enables consistent isotope delivery together with a three-fold lower T, 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.

摘要

以特定比例处理氘/氚(D/T)对于维持聚变反应堆的稳态运行至关重要。然而,金属 - 氢系统中的氢同位素效应总是会干扰精确的D/T比控制。在此,我们揭示了解吸过程中动力学同位素效应的主导作用。为了协调热力学稳定性和同位素效应,我们展示了一个关于氚的定量指标以及一种局部配位设计策略,该策略包括通过增强间隙同位素的振动实现热力学去稳定化以进行同位素工程。基于理论筛选分析,设计并制备了一种优化的Ti - Pd共掺杂ZrTiCoPd合金。与ZrCo合金相比,这种最佳合金能够实现一致的同位素输送,同时氚含量降低三倍,能垒差降低五倍,解吸过程中同位素组成偏差降低三分之一,循环容量提高两倍以上。这项工作为合金与氢同位素之间的相互作用提供了见解,从而开辟了支持高性能聚变反应堆的可行方法。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/83b3/10991433/cf4231c7c570/41467_2024_47250_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/83b3/10991433/583f8669939f/41467_2024_47250_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/83b3/10991433/6f1198887f2b/41467_2024_47250_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/83b3/10991433/f68e580e93fc/41467_2024_47250_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/83b3/10991433/e21c9758e88f/41467_2024_47250_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/83b3/10991433/cf4231c7c570/41467_2024_47250_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/83b3/10991433/583f8669939f/41467_2024_47250_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/83b3/10991433/6f1198887f2b/41467_2024_47250_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/83b3/10991433/f68e580e93fc/41467_2024_47250_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/83b3/10991433/e21c9758e88f/41467_2024_47250_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/83b3/10991433/cf4231c7c570/41467_2024_47250_Fig5_HTML.jpg

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本文引用的文献

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Anomalous isotope effect on mechanical properties of single atomic layer Boron Nitride.单原子层氮化硼力学性能的反常同位素效应。
Nat Commun. 2023 Sep 1;14(1):5331. doi: 10.1038/s41467-023-41148-2.
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A squarate-pillared titanium oxide quantum sieve towards practical hydrogen isotope separation.一种具有方柱状结构的钛氧化物量子筛,可用于实际的氢同位素分离。
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Honeycomb ZrCo Intermetallic for High Performance Hydrogen and Hydrogen Isotope Storage.用于高性能储氢及氘氚存储的蜂巢状 ZrCo 金属间化合物
ACS Appl Mater Interfaces. 2023 Jan 25;15(3):3904-3911. doi: 10.1021/acsami.2c17173. Epub 2023 Jan 10.
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