FIRST-PRINCIPLES STUDY OF THE PHASE STRACTURES OF Al-Sc ALLOYS

doi:10.3724/SP.J.1037.2009.00827

IMR OpenIR

	FIRST-PRINCIPLES STUDY OF THE PHASE STRACTURES OF Al-Sc ALLOYS
	Su Zhenxing; Wang Yuchen; Wang Shaoqing
通讯作者	Wang Yuchen(wangyc@imr.ac.cn)
	2010-05-11
发表期刊	ACTA METALLURGICA SINICA
ISSN	0412-1961
卷号	46 期号:5 页码:623-628
摘要	The 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.
关键词	Al-Sc alloy first-principles quasirandom structure precipitate
资助者	National Basic Research Program of China
DOI	10.3724/SP.J.1037.2009.00827
收录类别	SCI
语种	英语
资助项目	National Basic Research Program of China[2006CB605103]
WOS研究方向	Metallurgy & Metallurgical Engineering
WOS类目	Metallurgy & Metallurgical Engineering
WOS记录号	WOS:000278475200017
出版者	SCIENCE CHINA PRESS
引用统计	被引频次：3[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/100129
专题	中国科学院金属研究所
通讯作者	Wang Yuchen
作者单位	Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China
推荐引用方式 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.