Solution and diffusion of hydrogen isotopes in tungsten-rhenium alloy
文献类型：期刊论文
| 作者 | Ren, Fei1,2; Yin, Wen2,3; Yu, Quanzhi3; Jia, Xuejun3; Zhao, Zongfang1,2; Wang, Baotian2 |
| 刊名 | Journal of nuclear materials
 |
| 出版日期 | 2017-08-01 |
| 卷号 | 491页码:206-212 |
| 关键词 | Hydrogen isotopes Tungsten-rhenium alloy Solution and diffusion First-principle calculations |
| ISSN号 | 0022-3115 |
| DOI | 10.1016/j.jnucmat.2017.04.057 |
| 通讯作者 | Yin, wen(yinwen@ihep.ac.cn) |
| 英文摘要 | Rhenium is one of the main transmutation elements forming in tungsten under neutron irradiation. therefore, it is essential to understand the influence of rhenium impurity on hydrogen isotopes retention in tungsten. first-principle calculations were used to study the properties of hydrogen solution and diffusion in perfect tungsten-rhenium lattice. the interstitial hydrogen still prefers the tetrahedral site in presence of rhenium, and rhenium atom cannot act directly as a trapping site of hydrogen. the presence of rhenium in tungsten raises the solution energy and the real normal modes of vibration on the ground state and the transition state, compared to hydrogen in pure tungsten. without zero point energy corrections, the presence of rhenium decreases slightly the migration barrier. it is found that although the solution energy would tend to increase slightly with the rising of the concentration of rhenium, but which does not influence noticeably the solution energy of hydrogen in tungsten-rhenium alloy. the solubility and diffusion coefficient of hydrogen in perfect tungsten and tungsten-rhenium alloy have been estimated, according to sievert's law and harmonic transition state theory. the results show the solubility of hydrogen in tungsten agrees well the experimental data, and the presence of re would decrease the solubility and increase the diffusivity for the perfect crystals. (c) 2017 elsevier b.v. all rights reserved. |
| WOS关键词 | MINIMUM ENERGY PATHS ; HIGH-STRENGTH STEELS ; ELASTIC BAND METHOD ; FUSION-REACTORS ; SADDLE-POINTS ; PHASE ; TRANSITION ; PARAMETERS ; TRANSPORT ; VACANCY |
| WOS研究方向 | Materials Science ; Nuclear Science & Technology |
| WOS类目 | Materials Science, Multidisciplinary ; Nuclear Science & Technology |
| 语种 | 英语 |
| WOS记录号 | WOS:000404306700023 |
| 出版者 | ELSEVIER SCIENCE BV |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2177322 |
| 专题 | 高能物理研究所 |
| 通讯作者 | Yin, Wen |
| 作者单位 | 1.Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou 730000, Peoples R China 2.Chinese Acad Sci, Inst High Energy Phys, Dongguan Branch, Beijing 100049, Peoples R China 3.Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Ren, Fei,Yin, Wen,Yu, Quanzhi,et al. Solution and diffusion of hydrogen isotopes in tungsten-rhenium alloy[J]. Journal of nuclear materials,2017,491:206-212. |
| APA | Ren, Fei,Yin, Wen,Yu, Quanzhi,Jia, Xuejun,Zhao, Zongfang,&Wang, Baotian.(2017).Solution and diffusion of hydrogen isotopes in tungsten-rhenium alloy.Journal of nuclear materials,491,206-212. |
| MLA | Ren, Fei,et al."Solution and diffusion of hydrogen isotopes in tungsten-rhenium alloy".Journal of nuclear materials 491(2017):206-212. |
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来源：高能物理研究所
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