| The predominant role of Zn6Y9 cluster in the long period stacking order structures of Mg-Zn-Y alloys: a first-principles study | |
| S. Y. Ma; L. M. Liu; S. Q. Wang | |
| 2013 | |
| Source Publication | Journal of Materials Science
 |
| ISSN | 0022-2461 |
| Volume | 48Issue:4Pages:1407-1412 |
| Abstract | The strengthening mechanisms underlying the long period stacking order (LPSO) phases in Mg-Zn-Y alloys have largely remained unsolved due to unclear understanding of the local arrangements of Zn and Y atoms in the LPSO phases. The local arrangements of Zn and Y atoms in the LPSO structures are theoretically refined with first-principles method in this study. The calculations clearly demonstrate that Zn and Y atoms prefer clustering in the form of Zn6Y9 rather than arranging in random or ordered arrangements, or in the form of Zn6Y8 cluster, as proposed in previous experiments. The Zn6Y9 cluster, which leads to the formation of ABCA-type building block of the LPSO structures, can be particularly regarded as the ideal stoichiometric component of the LPSO structures. Various non-stoichiometric ZnmYn(Mg) clusters derived from the Zn6Y9 cluster can also easily exist in the LPSO structures. The non-stoichiometric ZnmYn(Mg) clusters may correspond to the arrangements of Zn and Y atoms in the LPSO phases with different Zn/Y ratios. This study indicates that the novel structures of the LPSO phases consisting of ABCA-type building blocks stem from the formation of the Zn6Y9 cluster and its derivative clusters, ZnmYn(Mg). |
| description.department | [ma, shang-yi ; wang, shao-qing] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china. [liu, li-min] china acad engn phys, beijing computat sci res ctr, beijing 100084, peoples r china. ; ma, sy (reprint author), chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china. ; shyma@imr.ac.cn |
| Keyword | Mechanical-properties Strength Phase |
| URL | 查看原文 |
| Language | 英语 |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/71402 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation GB/T 7714 | S. Y. Ma,L. M. Liu,S. Q. Wang. The predominant role of Zn6Y9 cluster in the long period stacking order structures of Mg-Zn-Y alloys: a first-principles study[J]. Journal of Materials Science,2013,48(4):1407-1412. |
| APA | S. Y. Ma,L. M. Liu,&S. Q. Wang.(2013).The predominant role of Zn6Y9 cluster in the long period stacking order structures of Mg-Zn-Y alloys: a first-principles study.Journal of Materials Science,48(4),1407-1412. |
| MLA | S. Y. Ma,et al."The predominant role of Zn6Y9 cluster in the long period stacking order structures of Mg-Zn-Y alloys: a first-principles study".Journal of Materials Science 48.4(2013):1407-1412. |
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