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 language | English (US) |
|---|---|
| Pages (from-to) | 798-801 |
| Number of pages | 4 |
| Journal | Scripta Materialia |
| Volume | 67 |
| Issue number | 10 |
| DOIs | |
| State | Published - Nov 2012 |
Funding
This work is funded by the USAMP (US Automotive Materials Partnership) Project on ICME for Magnesium. This material is based upon work supported by the Department of Energy National Energy Technology Laboratory under Award Number Nos. DE-FC05–95OR22363 , DE-FC05–02OR22910 and DE-FC26–02OR22910 . Funding support was Salso provided by the Ford-Boeing-Northwestern Alliance. Calculations were performed on the Northwestern University high performance computing system, Quest. Many thanks to Don Shih and Bita Ghaffari for fruitful discussions.
Keywords
- Density functional theory
- LPSO
- Magnesium alloys
- Phase diagram
- Phase stability
ASJC Scopus subject areas
- General Materials Science
- Condensed Matter Physics
- Mechanics of Materials
- Mechanical Engineering
- Metals and Alloys