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The Clustering of Zn6Y9 and its Predominant Role in Long Period Stacking Order Phases in Mg-Zn-Y Alloys: A First-Principles Study

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Abstract:

The local structures of Zn and Y in the long period stacking order (LPSO) phase in Mg-Zn-Y system were investigated by first principles calculations in details. The clustering of Zn and Y atoms ranging from single stacking fault layer to four consecutive layers was explicitly demonstrated. The calculations indicate that Zn and Y atoms prefer clustering in the form of Zn6Y9 embedding in ABCA-type building block to the random or ordered arrangements of Zn and Y atoms being enriched in two stacking fault layers. The cluster of Zn6Y9 can be regarded as the ideal stoichiometric component of LPSO and it plays a predominant role in the LPSO phases. The formation of LPSO phases is highly associated with the Zn6Y9 cluster and its derivatives.

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Periodical:

Materials Science Forum (Volume 749)

Pages:

569-576

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.749.569

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Online since:

March 2013

Authors:

Shang Yi Ma, Li Min Liu, Shao Qing Wang

Keywords:

First-Principles Study, Long Period Stacking Order Phases, Magnesium Alloy

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