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The Kinetic Behaviors of H Impurities in the Li/Ta Bilayer: Application for the Accelerator-Based BNCT

1
School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000, China
2
Institute of High Energy Physics, Chinese Academy of Science (CAS), Beijing 100049, China
3
Spallation Neutron Source Science Center, Dongguan 523803, China
*
Authors to whom correspondence should be addressed.
Nanomaterials 2019, 9(8), 1107; https://doi.org/10.3390/nano9081107
Received: 27 June 2019 / Revised: 28 July 2019 / Accepted: 29 July 2019 / Published: 2 August 2019
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Abstract

Hydrogen bubble phenomenon is one of the key issues to be solved in the development of a long-life target system for boron neutron capture therapy (BNCT). In this study, we assessed the kinetic behaviors of H impurities in the nano-composite target from the atomic level. Firstly, two kinds of Li/Ta nanolayer models were constructed, based on the calculated lattice parameters and surface energies. The H solution energy, diffusion mechanism, and hydrogen bubbles formation in the Li/Ta nanostructured bilayer were studied, through theoretical modeling and simulation. Our results show that the Li/Ta interfaces are effective sinks of H atoms because the H solution energies in the interface are lower. Meanwhile, due to the relatively low diffusion barriers, the large-scale H transport through the interface is possible. In addition, although it is more likely to form hydrogen bubbles in the Ta layer, compared with the Li layer, the anti-blistering ability of Ta is more impressive compared with most of other candidate materials. Therefore, the Ta layer is able to act as the hydrogen absorber in the Li/Ta bilayer, and relieve the hydrogen damage of the Li layer in the large-scale proton radiations. View Full-Text
Keywords: BCC/BCC bilayer; H solution energy; electron density; diffusion barrier; hydrogen bubble BCC/BCC bilayer; H solution energy; electron density; diffusion barrier; hydrogen bubble
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Liu, X.; Chen, H.; Tong, J.; He, W.; Li, X.; Liang, T.; Li, Y.; Yin, W. The Kinetic Behaviors of H Impurities in the Li/Ta Bilayer: Application for the Accelerator-Based BNCT. Nanomaterials 2019, 9, 1107.

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