Stability of Laves phases in the Cr-Zr system

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Authors

PAVLŮ Jana VŘEŠŤÁL Jan ŠOB Mojmír

Year of publication 2009
Type Article in Periodical
Magazine / Source CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
MU Faculty or unit

Faculty of Science

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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