| Autor: |
Tetsuo Mohri, Shuichi Iwata, Ying Chen |
| Rok vydání: |
2005 |
| Předmět: |
|
| Zdroj: |
Materials Science Forum. :3127-3130 |
| ISSN: |
1662-9752 |
| DOI: |
10.4028/www.scientific.net/msf.475-479.3127 |
| Popis: |
Theoretical investigation of the phase equilibira of three kinds of Fe-based alloys, Fe-Ni, Fe-Pd and Fe-Pt systems is attempted by combining FLAPW total energy calculations and Cluster Variation Method. It is revealed that the magnetism plays a crucial role in the phase stability and spin polarized calculation is indispensable. The experimental L10-disorder transition temperatures are reproduced with fairly high accuracy. Thermal vibration effects incorporated based on the Debye-Gruneisen model further improve the calculated transition temperatures. Furthermore, the influence of the various effective cluster interactions on phase stability is calculated systematically. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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