The structural stabilities of Al(3)(Sc(1-x)M(x)) by first-principles calculations
文献类型：期刊论文
| 作者 | H. Zhang ; S. Q. Wang |
| 刊名 | Computational Materials Science
 |
| 出版日期 | 2011 |
| 卷号 | 50期号:7页码:2162-2166 |
| 关键词 | Aluminides al(sc First-principles calculations zr) alloys Phase stability quasi-random structures aluminum-alloys al-sc mechanical-properties temporal evolution microstructure nanostructure precipitation scandium |
| ISSN号 | 0927-0256 |
| 中文摘要 | The positive effects of Al(3)Sc phase on Al-Sc alloys can be promoted by adding to the third elements. The structure properties of Al(3)Sc when it dissolves the third elements are investigated by first-principles calculations. Special quasirandom structures are developed for the quasi-binary L1(2) structures. The calculations indicate that the elements of Ti, Zr, Y and Ta tend to substitute for Sc in Al(3)Sc, while Ni and Si prefer to substitute for Al. The present lattice parameters generally follow the Vegard's law. The high solubility of Ti and Y in Al(3)Sc is revealed in the calculated quasi-binary phase diagram. (C) 2011 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/30873]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | H. Zhang,S. Q. Wang. The structural stabilities of Al(3)(Sc(1-x)M(x)) by first-principles calculations[J]. Computational Materials Science,2011,50(7):2162-2166. |
| APA | H. Zhang,&S. Q. Wang.(2011).The structural stabilities of Al(3)(Sc(1-x)M(x)) by first-principles calculations.Computational Materials Science,50(7),2162-2166. |
| MLA | H. Zhang,et al."The structural stabilities of Al(3)(Sc(1-x)M(x)) by first-principles calculations".Computational Materials Science 50.7(2011):2162-2166. |
入库方式： OAI收割
来源：金属研究所
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