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The predominant role of ZnY cluster in the long period stacking order structures of Mg-Zn-Y alloys: a first-principles study.
- Source :
- Journal of Materials Science; Feb2013, Vol. 48 Issue 4, p1407-1412, 6p, 2 Diagrams, 2 Graphs
- Publication Year :
- 2013
-
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 Zn<subscript>6</subscript>Y<subscript>9</subscript> rather than arranging in random or ordered arrangements, or in the form of Zn<subscript>6</subscript>Y<subscript>8</subscript> cluster, as proposed in previous experiments. The Zn<subscript>6</subscript>Y<subscript>9</subscript> 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 Zn<subscript>m</subscript>Y<subscript>n</subscript>(Mg) clusters derived from the Zn<subscript>6</subscript>Y<subscript>9</subscript> cluster can also easily exist in the LPSO structures. The non-stoichiometric Zn<subscript>m</subscript>Y<subscript>n</subscript>(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 Zn<subscript>6</subscript>Y<subscript>9</subscript> cluster and its derivative clusters, Zn<subscript>m</subscript>Y<subscript>n</subscript>(Mg). [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00222461
- Volume :
- 48
- Issue :
- 4
- Database :
- Complementary Index
- Journal :
- Journal of Materials Science
- Publication Type :
- Academic Journal
- Accession number :
- 84581738
- Full Text :
- https://doi.org/10.1007/s10853-012-6890-4