| FIRST-PRINCIPLES STUDY OF THE PHASE STRACTURES OF Al-Sc ALLOYS | |
| Su Zhenxing; Wang Yuchen; Wang Shaoqing | |
| Corresponding Author | Wang Yuchen(wangyc@imr.ac.cn) |
| 2010-05-11 | |
| Source Publication | ACTA METALLURGICA SINICA
 |
| ISSN | 0412-1961 |
| Volume | 46Issue:5Pages:623-628 |
| Abstract | 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. |
| Keyword | Al-Sc alloy first-principles quasirandom structure precipitate |
| Funding Organization | National Basic Research Program of China |
| DOI | 10.3724/SP.J.1037.2009.00827 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | National Basic Research Program of China[2006CB605103] |
| WOS Research Area | Metallurgy & Metallurgical Engineering |
| WOS Subject | Metallurgy & Metallurgical Engineering |
| WOS ID | WOS:000278475200017 |
| Publisher | SCIENCE CHINA PRESS |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/100129 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Wang Yuchen |
| Affiliation | Chinese 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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