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.
Related projects:	Physical and chemical properties of advanced materials and structures