First Principles Calculations Results in Modelling of Phase Diagrams with Sigma-Phase

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Authors

CHVÁTALOVÁ Květuše VŘEŠŤÁL Jan

Year of publication 2005
Type Article in Proceedings
Conference V.Pracovní setkání fyzikálních chermiků a elektrochemiků. Sborník příspěvků
MU Faculty or unit

Faculty of Science

Citation
Field Thermodynamics
Keywords First principles; Phase diagram; Sigma-phase
Description Energy of formation, calculated ab initio, was used for thermodynamic modelling of phase diagrams, containing sigma-phase.
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