标题：Effect of carbon on behavior of helium in vanadium: A first-principles investigation
作者：Hua, Juan; Li, Ying; Liu, Yue-Lin; Zhao, Ming-Wen; Liu, Xiang-Dong
作者机构：[Hua, Juan; Li, Ying; Liu, Yue-Lin] Yantai Univ, Dept Phys, Yantai 264005, Peoples R China.; [Zhao, Ming-Wen; Liu, Xiang-Dong] Shandong Univ, Sch Ph 更多
通讯作者地址：[Hua, J]Yantai Univ, Dept Phys, Yantai 264005, Peoples R China.
来源：INTERNATIONAL JOURNAL OF MODERN PHYSICS B
关键词：Vanadium; vacancy; first-principles calculations
摘要：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.