Thermodynamic stability of Mg-Y-Zn long-period stacking ordered structures

James E. Saal*, Christopher M Wolverton

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

40 Scopus citations

Abstract

Although long-period stacking ordered (LPSO) structures have been known to improve mechanical strength in Mg alloys for over a decade, only recently have LPSO crystal structure models been proposed. Using density functional theory (DFT), we explore the thermodynamic stability of two such models with Mg-Y-Zn LPSO structures of 18R and 14H types. All LPSO structures are predicted to be metastable when compared to the 0 K ground state phase diagram, which we construct from DFT calculations of 13 Mg-Y-Zn intermetallic compounds.

Original languageEnglish (US)
Pages (from-to)798-801
Number of pages4
JournalScripta Materialia
Volume67
Issue number10
DOIs
StatePublished - Nov 1 2012

Keywords

  • Density functional theory
  • LPSO
  • Magnesium alloys
  • Phase diagram
  • Phase stability

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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