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Effects of iron and chromium on the dynamic properties of oxygen in liquid lead-bismuth eutectic alloy
Xu, Yichun1; Zhang, Yange1; Li, Xiangyan1; Liu, Wei1; Li, Dongdong2; Liu, C. S.1; Pan, B. C.3,4; Wang, Zhiguang5
2017-04-01
Source PublicationCORROSION SCIENCE
Volume118Issue:Pages:1-11
AbstractAb initio molecular dynamics simulations were performed to investigate the effects of iron (Fe) and chromium (Cr) on the dynamic behaviour of oxygen in liquid lead bismuth eutectic (LBE). The results indicated that oxygen atoms could be strongly attracted towards Fe and Cr atoms, forming metal oxide complexes dominated by Fe3O4 and Cr2O3. These oxide complexes could retard oxygen diffusion and reduce the concentration of free oxygen in LBE, thereby leading to an increase in the output of oxygen sensor in experiments. Besides, the diffusivities of Fe and Cr in LBE were obtained at different temperatures. (C) 2017 Elsevier Ltd. All rights reserved.
SubtypeArticle
KeywordLiquid Lead-bismuth Eutectic Ab Initio Molecular Dynamics Simulation Oxygen Diffusivity Oxygen Concentration
WOS HeadingsScience & Technology ; Technology
Funding OrganizationNational Natural Science Foundation of China(11475214 ; National Natural Science Foundation of China(11475214 ; National Natural Science Foundation of China(11475214 ; National Natural Science Foundation of China(11475214 ; Strategic Priority Research Program of Chinese Academy of Sciences(XDA03010303) ; Strategic Priority Research Program of Chinese Academy of Sciences(XDA03010303) ; Strategic Priority Research Program of Chinese Academy of Sciences(XDA03010303) ; Strategic Priority Research Program of Chinese Academy of Sciences(XDA03010303) ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; 11505214 ; 11505214 ; 11505214 ; 11505214 ; 51571187 ; 51571187 ; 51571187 ; 51571187 ; 51671185) ; 51671185) ; 51671185) ; 51671185) ; National Natural Science Foundation of China(11475214 ; National Natural Science Foundation of China(11475214 ; National Natural Science Foundation of China(11475214 ; National Natural Science Foundation of China(11475214 ; Strategic Priority Research Program of Chinese Academy of Sciences(XDA03010303) ; Strategic Priority Research Program of Chinese Academy of Sciences(XDA03010303) ; Strategic Priority Research Program of Chinese Academy of Sciences(XDA03010303) ; Strategic Priority Research Program of Chinese Academy of Sciences(XDA03010303) ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; 11505214 ; 11505214 ; 11505214 ; 11505214 ; 51571187 ; 51571187 ; 51571187 ; 51571187 ; 51671185) ; 51671185) ; 51671185) ; 51671185)
DOI10.1016/j.corsci.2017.01.003
WOS Keyword550 DEGREES-C ; INITIO MOLECULAR-DYNAMICS ; PERCENT DISSOLVED-OXYGEN ; AUGMENTED-WAVE METHOD ; AUSTENITIC STEELS ; PB-BI ; CORROSION BEHAVIOR ; FLOWING LBE ; TEMPERATURE ; 316L
Indexed BySCI
Language英语
Funding OrganizationNational Natural Science Foundation of China(11475214 ; National Natural Science Foundation of China(11475214 ; National Natural Science Foundation of China(11475214 ; National Natural Science Foundation of China(11475214 ; Strategic Priority Research Program of Chinese Academy of Sciences(XDA03010303) ; Strategic Priority Research Program of Chinese Academy of Sciences(XDA03010303) ; Strategic Priority Research Program of Chinese Academy of Sciences(XDA03010303) ; Strategic Priority Research Program of Chinese Academy of Sciences(XDA03010303) ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; 11505214 ; 11505214 ; 11505214 ; 11505214 ; 51571187 ; 51571187 ; 51571187 ; 51571187 ; 51671185) ; 51671185) ; 51671185) ; 51671185) ; National Natural Science Foundation of China(11475214 ; National Natural Science Foundation of China(11475214 ; National Natural Science Foundation of China(11475214 ; National Natural Science Foundation of China(11475214 ; Strategic Priority Research Program of Chinese Academy of Sciences(XDA03010303) ; Strategic Priority Research Program of Chinese Academy of Sciences(XDA03010303) ; Strategic Priority Research Program of Chinese Academy of Sciences(XDA03010303) ; Strategic Priority Research Program of Chinese Academy of Sciences(XDA03010303) ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; Center for Computation Science, Hefei Institutes of Physical Sciences ; 11505214 ; 11505214 ; 11505214 ; 11505214 ; 51571187 ; 51571187 ; 51571187 ; 51571187 ; 51671185) ; 51671185) ; 51671185) ; 51671185)
WOS Research AreaMaterials Science ; Metallurgy & Metallurgical Engineering
WOS SubjectMaterials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS IDWOS:000396969800001
Citation statistics
Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.hfcas.ac.cn:8080/handle/334002/32955
Collection中科院固体物理研究所
Affiliation1.Chinese Acad Sci, Inst SolidState Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China
2.Hefei Univ Technol, Sch Mat Sci & Engn, Lab Amorphous Mat, Hefei 230009, Peoples R China
3.Univ Sci & Technol China, Natl Lab Phys Sci Microscale, Hefei 230026, Peoples R China
4.Univ Sci & Technol China, Dept Phys, Hefei 230026, Peoples R China
5.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China
Recommended Citation
GB/T 7714
Xu, Yichun,Zhang, Yange,Li, Xiangyan,et al. Effects of iron and chromium on the dynamic properties of oxygen in liquid lead-bismuth eutectic alloy[J]. CORROSION SCIENCE,2017,118(无):1-11.
APA Xu, Yichun.,Zhang, Yange.,Li, Xiangyan.,Liu, Wei.,Li, Dongdong.,...&Wang, Zhiguang.(2017).Effects of iron and chromium on the dynamic properties of oxygen in liquid lead-bismuth eutectic alloy.CORROSION SCIENCE,118(无),1-11.
MLA Xu, Yichun,et al."Effects of iron and chromium on the dynamic properties of oxygen in liquid lead-bismuth eutectic alloy".CORROSION SCIENCE 118.无(2017):1-11.
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