Stability of Laves phases in the Cr-Zr system
| Authors | |
|---|---|
| Year of publication | 2009 |
| Type | Article in Periodical |
| Magazine / Source | CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY |
| MU Faculty or unit | |
| Citation | |
| Field | Thermodynamics |
| Keywords | Ab initio calculations; Laves phases; Chromium-zirconium system; Phase diagram; CALPHAD |
| Description | The total energies of all three structural forms of Laves phases (C14,C15 and C36) were calculated ab initio, the relative stability of Cr2Zr polytypes was discussed and calculated values were used in two- and three-sublattice models for the re-modelling of Gibbs energies of Laves phases and for calculation of phase diagram. |
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