HFCAS OpenIR  > 中科院固体物理研究所
Point defect induced segregation of alloying solutes in alpha-Fe
You, Yu-Wei1; Zhang, Yange1; Li, Xiangyan1; Xu, Yichun1; Liu, C. S.1; Chen, J. L.2; Luo, G. -N.2
2016-10-01
Source PublicationJOURNAL OF NUCLEAR MATERIALS
Volume479Issue:Pages:11-18
AbstractSegregation of alloying solute toward clusters and precipitates can result in hardening and embrittlement of ferritic and ferritic/martensitic steels in aging nuclear power plants. Thus, it is essential to study the segregation of solute in alpha-Fe. In this study, the segregation of eight kinds of alloying solutes (Al, Si, P, S, Ga, Ge, As, Se) in defect-free system and at vacancy, divacancy, and self-interstitial atom in alpha-Fe has been systematically studied by first-principles calculations. We find that it is energetically favorable for multiple solute S or Se atoms to segregate in defect-free system to form solute clusters, whereas it is very difficult for the other solute atoms to form the similar clusters. With the presence of vacancy and divacancy, the segregation of all the solutes are significantly promoted to form vacancy-solute and divacancy-solute clusters. The divacancy-solute cluster is more stable than the vacancy-solute cluster. The most-stable self-interstitial atom < 110 > dumbbell is also found to tightly bind with multiple solute atoms. The < 110 >-S is even more stable than divacancy-S cluster. Meanwhile, the law of mass action is employed to predict the concentration evolution of vacancy-Si, vacancy-P, and vacancy-S clusters versus temperature and vacancy concentration. (C) 2016 Elsevier B.V. All rights reserved.
SubtypeArticle
WOS HeadingsScience & Technology ; Technology ; Physical Sciences
Funding OrganizationNational Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; 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 ; 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 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11475214) ; 11475214) ; 11475214) ; 11475214) ; 11475214) ; 11475214) ; 11475214) ; 11475214) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; 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 ; 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 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11475214) ; 11475214) ; 11475214) ; 11475214) ; 11475214) ; 11475214) ; 11475214) ; 11475214)
DOI10.1016/j.jnucmat.2016.06.045
WOS KeywordPRESSURE-VESSEL STEELS ; AB-INITIO CALCULATIONS ; INTERSTITIALS ; EVOLUTION ; METALS ; IRON
Indexed BySCI
Language英语
Funding OrganizationNational Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; 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 ; 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 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11475214) ; 11475214) ; 11475214) ; 11475214) ; 11475214) ; 11475214) ; 11475214) ; 11475214) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Magnetic Confinement Fusion Program(2015GB112001) ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; National Natural Science Foundation of China(11405202 ; 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 ; 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 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11375231 ; 11475214) ; 11475214) ; 11475214) ; 11475214) ; 11475214) ; 11475214) ; 11475214) ; 11475214)
WOS Research AreaMaterials Science ; Nuclear Science & Technology ; Mining & Mineral Processing
WOS SubjectMaterials Science, Multidisciplinary ; Nuclear Science & Technology ; Mining & Mineral Processing
WOS IDWOS:000383552200002
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.hfcas.ac.cn:8080/handle/334002/30241
Collection中科院固体物理研究所
Affiliation1.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, POB 1129, Hefei 230031, Peoples R China
2.Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China
Recommended Citation
GB/T 7714
You, Yu-Wei,Zhang, Yange,Li, Xiangyan,et al. Point defect induced segregation of alloying solutes in alpha-Fe[J]. JOURNAL OF NUCLEAR MATERIALS,2016,479(无):11-18.
APA You, Yu-Wei.,Zhang, Yange.,Li, Xiangyan.,Xu, Yichun.,Liu, C. S..,...&Luo, G. -N..(2016).Point defect induced segregation of alloying solutes in alpha-Fe.JOURNAL OF NUCLEAR MATERIALS,479(无),11-18.
MLA You, Yu-Wei,et al."Point defect induced segregation of alloying solutes in alpha-Fe".JOURNAL OF NUCLEAR MATERIALS 479.无(2016):11-18.
Files in This Item: Download All
File Name/Size DocType Version Access License
Point defect induced(1147KB)期刊论文作者接受稿开放获取CC BY-NC-SAView Download
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[You, Yu-Wei]'s Articles
[Zhang, Yange]'s Articles
[Li, Xiangyan]'s Articles
Baidu academic
Similar articles in Baidu academic
[You, Yu-Wei]'s Articles
[Zhang, Yange]'s Articles
[Li, Xiangyan]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[You, Yu-Wei]'s Articles
[Zhang, Yange]'s Articles
[Li, Xiangyan]'s Articles
Terms of Use
No data!
Social Bookmark/Share
File name: Point defect induced segregation of alloying solutes in alpha-Fe.pdf
Format: Adobe PDF
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.