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

James E. Saal*, C. Wolverton

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

45 Scopus citations


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
Issue number10
StatePublished - Nov 2012


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

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys


Dive into the research topics of 'Thermodynamic stability of Mg-Y-Zn long-period stacking ordered structures'. Together they form a unique fingerprint.

Cite this