HFCAS OpenIR  > 中科院等离子体物理研究所
Finite-temperature H behaviors in tungsten and molybdenum: first-principles total energy and vibration spectrum calculations
Liu, Yue-Lin1; Ding, Fang2; Luo, G. -N.2; Chen, Chang-An3
2017-12-01
发表期刊NUCLEAR FUSION
卷号57期号:12
摘要We have carried out systematic first- principles total energy and vibration spectrum calculations to investigate the finite- temperature H dissolution behaviors in tungsten and molybdenum, which are considered promising candidates for the first wall in nuclear fusion reactors. The temperature effect is considered by the lattice expansion and phonon vibration. We demonstrate that the H Gibbs energy of formation in both tetrahedral and octahedral interstitial positions depends strongly on the temperature. The H Gibbs energy of formation under one atmosphere of pressure increases significantly with increasing temperature. The phonon vibration contribution plays a decisive role in the H Gibbs energy of formation with the increasing temperature. Using the predicted H Gibbs energy of formation, our calculated H concentrations in both metals are about one or two orders of magnitude lower than the experimental data at temperature range from 900 to 2400 K. Such a discrepancy can be reasonably explained by the defect- capturing effect.
文章类型Article
关键词Tungsten And Molybdenum Hydrogen Formation And Solubility Temperature Effect First-principles Calculations
WOS标题词Science & Technology ; Physical Sciences
资助者National Magnetic Confinement Fusion Program(2013GB109002 ; National Magnetic Confinement Fusion Program(2013GB109002 ; National Natural Science Foundation of China (NSFC)(11575153) ; National Natural Science Foundation of China (NSFC)(11575153) ; 2015GB109001) ; 2015GB109001) ; National Magnetic Confinement Fusion Program(2013GB109002 ; National Magnetic Confinement Fusion Program(2013GB109002 ; National Natural Science Foundation of China (NSFC)(11575153) ; National Natural Science Foundation of China (NSFC)(11575153) ; 2015GB109001) ; 2015GB109001)
DOI10.1088/1741-4326/aa8278
关键词[WOS]GENERALIZED GRADIENT APPROXIMATION ; TRANSIENT INTERFEROMETRIC-TECHNIQUE ; AUGMENTED-WAVE METHOD ; THERMAL-EXPANSION ; DEUTERIUM RETENTION ; HYDROGEN ISOTOPES ; DIFFUSION ; METALS ; PERMEABILITY ; PERMEATION
收录类别SCI
语种英语
资助者National Magnetic Confinement Fusion Program(2013GB109002 ; National Magnetic Confinement Fusion Program(2013GB109002 ; National Natural Science Foundation of China (NSFC)(11575153) ; National Natural Science Foundation of China (NSFC)(11575153) ; 2015GB109001) ; 2015GB109001) ; National Magnetic Confinement Fusion Program(2013GB109002 ; National Magnetic Confinement Fusion Program(2013GB109002 ; National Natural Science Foundation of China (NSFC)(11575153) ; National Natural Science Foundation of China (NSFC)(11575153) ; 2015GB109001) ; 2015GB109001)
WOS研究方向Physics
WOS类目Physics, Fluids & Plasmas
WOS记录号WOS:000411581100003
引用统计
文献类型期刊论文
条目标识符http://ir.hfcas.ac.cn:8080/handle/334002/33745
专题中科院等离子体物理研究所
作者单位1.Yantai Univ, Dept Phys, Yantai 264005, Peoples R China
2.Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Anhui, Peoples R China
3.China Acad Engn Phys, Mianyang 621900, Peoples R China
推荐引用方式
GB/T 7714
Liu, Yue-Lin,Ding, Fang,Luo, G. -N.,et al. Finite-temperature H behaviors in tungsten and molybdenum: first-principles total energy and vibration spectrum calculations[J]. NUCLEAR FUSION,2017,57(12).
APA Liu, Yue-Lin,Ding, Fang,Luo, G. -N.,&Chen, Chang-An.(2017).Finite-temperature H behaviors in tungsten and molybdenum: first-principles total energy and vibration spectrum calculations.NUCLEAR FUSION,57(12).
MLA Liu, Yue-Lin,et al."Finite-temperature H behaviors in tungsten and molybdenum: first-principles total energy and vibration spectrum calculations".NUCLEAR FUSION 57.12(2017).
条目包含的文件
条目无相关文件。
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Liu, Yue-Lin]的文章
[Ding, Fang]的文章
[Luo, G. -N.]的文章
百度学术
百度学术中相似的文章
[Liu, Yue-Lin]的文章
[Ding, Fang]的文章
[Luo, G. -N.]的文章
必应学术
必应学术中相似的文章
[Liu, Yue-Lin]的文章
[Ding, Fang]的文章
[Luo, G. -N.]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。