Abstract
Theoretical investigations on the phase stability of intermetallic compounds are categorized into three groups: studies for the ground-state stability, the relative stability at finite temperatures and time evolution and devolution kinetics in a non-equilibrium state. Electronic structure calculations, the cluster variation method and the path probability method are proposed as potential theoretical tools, respectively, for each category. A number of examples of our previous calculations are presented to demonstrate that these methods are fully compatible and provide a sound basis for a general framework of the phase stability theory of intermetallic compounds.
| Original language | English |
|---|---|
| Pages (from-to) | S3-S10 |
| Journal | Intermetallics |
| Volume | 4 |
| Issue number | SUPPL. 1 |
| DOIs | |
| Publication status | Published - 1996 |
| Externally published | Yes |
Keywords
- A. miscellaneous intermetallics
- B. phase stability
- Calculation
- E. electronic structure
- Ordering energies
- Phase diagram preditions
ASJC Scopus subject areas
- Chemistry(all)
- Mechanics of Materials
- Mechanical Engineering
- Metals and Alloys
- Materials Chemistry