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FIRST-PRINCIPLES STUDY OF THE PHASE STRACTURES OF Al-Sc ALLOYS
Su Zhenxing; Wang Yuchen; Wang Shaoqing
Corresponding AuthorWang Yuchen(wangyc@imr.ac.cn)
2010-05-11
Source PublicationACTA METALLURGICA SINICA
ISSN0412-1961
Volume46Issue:5Pages:623-628
AbstractThe formation enthalpies of the Al-Sc compounds and the Al-rich solid solution phase have been studied from first-principles based on plane-wave pseudopotential method. To calculate the electronic structure of the disordered Al-Sc alloys, the small-size special quasirandom structures (SQS), which exhibited similar structure environments as that of the disordered Al-Sc alloys, are employed. It is shown that the Sc atoms in supersaturated solid solution tend to segregation forming ordered Al(3)Sc (L1(2)) and AlSc (L1(0)) precipitations. The nucleation mechanism of Al(3)Sc precipitation phase in the supersaturated Al(Sc) solid solution is analyzed in terms of the calculated densities of states and distributions of electron densities.
KeywordAl-Sc alloy first-principles quasirandom structure precipitate
Funding OrganizationNational Basic Research Program of China
DOI10.3724/SP.J.1037.2009.00827
Indexed BySCI
Language英语
Funding ProjectNational Basic Research Program of China[2006CB605103]
WOS Research AreaMetallurgy & Metallurgical Engineering
WOS SubjectMetallurgy & Metallurgical Engineering
WOS IDWOS:000278475200017
PublisherSCIENCE CHINA PRESS
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/100129
Collection中国科学院金属研究所
Corresponding AuthorWang Yuchen
AffiliationChinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China
Recommended Citation
GB/T 7714
Su Zhenxing,Wang Yuchen,Wang Shaoqing. FIRST-PRINCIPLES STUDY OF THE PHASE STRACTURES OF Al-Sc ALLOYS[J]. ACTA METALLURGICA SINICA,2010,46(5):623-628.
APA Su Zhenxing,Wang Yuchen,&Wang Shaoqing.(2010).FIRST-PRINCIPLES STUDY OF THE PHASE STRACTURES OF Al-Sc ALLOYS.ACTA METALLURGICA SINICA,46(5),623-628.
MLA Su Zhenxing,et al."FIRST-PRINCIPLES STUDY OF THE PHASE STRACTURES OF Al-Sc ALLOYS".ACTA METALLURGICA SINICA 46.5(2010):623-628.
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