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Thermodynamic analysis of the topologically close packed σ phase in the Co–Cr system
Density functional theory (DFT) calculations show that it is essential to consider the magnetic contribution to the total energy for the end-members of the σ phase. A more straightforward method to use the DFT results in a CALPHAD (Calculation of phase diagrams) description has been applied in the p...
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| Publicat a: | Intermetallics (Barking) |
|---|---|
| Autors principals: | , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2019
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6774197/ https://ncbi.nlm.nih.gov/pubmed/31579354 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.intermet.2018.11.004 |
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