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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

  • Shangyi Ma*
  • , Limin Liu
  • , Shaoqing Wang
  • *Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

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.

Original languageEnglish
Title of host publicationMaterials Performance, Modeling and Simulation
PublisherTrans Tech Publications Ltd
Pages569-576
Number of pages8
ISBN (Print)9783037856093
DOIs
StatePublished - 2013
Externally publishedYes
EventChinese Materials Congress 2012, CMC 2012 - Taiyuan, China
Duration: 13 Jul 201218 Jul 2012

Publication series

NameMaterials Science Forum
Volume749
ISSN (Print)0255-5476
ISSN (Electronic)1662-9752

Conference

ConferenceChinese Materials Congress 2012, CMC 2012
Country/TerritoryChina
CityTaiyuan
Period13/07/1218/07/12

Keywords

  • First-principles study
  • Long period stacking order phases
  • Magnesium alloys

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