IMR OpenIR
The mechanism of theta- to alpha-Al2O3 phase transformation
Huang, Yuanchao1; Peng, Xiao2,3,4; Chen, Xing-Qiu2,3
Corresponding AuthorHuang, Yuanchao(huangyuanchao@zju.edu.cn)
2021-05-15
Source PublicationJOURNAL OF ALLOYS AND COMPOUNDS
ISSN0925-8388
Volume863Pages:5
AbstractThe mechanism of theta- to alpha-Al2O3 phase transformation is proved by the "synchro-shear" model through the first-principles calculations. The proposed model is based on a reorganization of oxygen anions sublattice from f.c.c. to h.c.p. which is achieved by series of shears of the oxygen closed-stacking plane (20 (1) over bar) along the direction of [102] and a migration of Al-cations to the near octahedral interstices to form a "honey comb'' lattice. On this basis, it is concluded that there is a critical size of similar to 22.88 nm at which theta-Al2O3 is thermodynamically able to transform to an a form. The obtained data is in a good agreement with the experimental observations. (C) 2021 Elsevier B.V. All rights reserved.
KeywordAluminum oxide Density functional theory Synchro-shear phase transformation model Alumina Phase transformation First-principles calculations
Funding OrganizationNational Natural Science Foundation of China (NSFC) ; National Science Fund for Distinguished Young Scholars
DOI10.1016/j.jallcom.2021.158666
Indexed BySCI
Language英语
Funding ProjectNational Natural Science Foundation of China (NSFC)[51471178] ; National Science Fund for Distinguished Young Scholars[51725103]
WOS Research AreaChemistry ; Materials Science ; Metallurgy & Metallurgical Engineering
WOS SubjectChemistry, Physical ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS IDWOS:000621714200077
PublisherELSEVIER SCIENCE SA
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/161413
Collection中国科学院金属研究所
Corresponding AuthorHuang, Yuanchao
Affiliation1.Zhejiang Univ, ZJU Hangzhou Global Sci & Technol Innovat Ctr, Hangzhou 311200, Peoples R China
2.Chinese Acad Sci, Inst Met Res, Lab Corros & Protect, Shenyang 110016, Peoples R China
3.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China
4.Nanchang Hangkong Univ, Sch Mat Sci & Engn, 696 Fenghenan Ave, Nanchang 330063, Jiangxi, Peoples R China
Recommended Citation
GB/T 7714
Huang, Yuanchao,Peng, Xiao,Chen, Xing-Qiu. The mechanism of theta- to alpha-Al2O3 phase transformation[J]. JOURNAL OF ALLOYS AND COMPOUNDS,2021,863:5.
APA Huang, Yuanchao,Peng, Xiao,&Chen, Xing-Qiu.(2021).The mechanism of theta- to alpha-Al2O3 phase transformation.JOURNAL OF ALLOYS AND COMPOUNDS,863,5.
MLA Huang, Yuanchao,et al."The mechanism of theta- to alpha-Al2O3 phase transformation".JOURNAL OF ALLOYS AND COMPOUNDS 863(2021):5.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Huang, Yuanchao]'s Articles
[Peng, Xiao]'s Articles
[Chen, Xing-Qiu]'s Articles
Baidu academic
Similar articles in Baidu academic
[Huang, Yuanchao]'s Articles
[Peng, Xiao]'s Articles
[Chen, Xing-Qiu]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Huang, Yuanchao]'s Articles
[Peng, Xiao]'s Articles
[Chen, Xing-Qiu]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

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