Effect of carbon on behavior of helium in vanadium: A first-principles investigation
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Published:2018-01-08
Issue:01
Volume:32
Page:1750269
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ISSN:0217-9792
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Container-title:International Journal of Modern Physics B
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language:en
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Short-container-title:Int. J. Mod. Phys. B
Author:
Hua Juan1,
Li Ying1,
Liu Yue-Lin1,
Zhao Ming-Wen2,
Liu Xiang-Dong2
Affiliation:
1. Department of Physics, Yantai University, Yantai 264005, P. R. China
2. School of Physics and State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, Shandong, P. R. China
Abstract
By using the first-principles calculations, we studied the effect of carbon (C) on the behaviors of helium (He) in vanadium (V). The results show that C can effectively reduce the solubility of He in bulk V. Compared with defect-free V bulk, the C-vac complex reduces the charge density around it, which makes it act as a trapping center and promotes He nucleation. The maximum number of He atoms trapped by the C-vac complex is five. Furthermore, the interaction between He and the C-vac complex is slightly stronger than that in a C-free vacancy, which indicates that C could increase the trapping ability of vacancy to He atom. Based on the above results, we conclude that C has a certain influence on the dissolution and the trapping behaviors of He in V.
Funder
National Natural Science Foundation of China
Natural Science Foundation of Shandong Province
Publisher
World Scientific Pub Co Pte Lt
Subject
Condensed Matter Physics,Statistical and Nonlinear Physics