Thermodynamic modelling at low temperatures: Combined ab initio, semiempirical and experimental approach

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Authors	PAVLŮ Jana VŘEŠŤÁL Jan ŠOB Mojmír ŘEHÁK Petr
Year of publication	2015
Type	Conference abstract
MU Faculty or unit	Central European Institute of Technology
Citation
Description	In the presentation we show our way of determination of Einstein temperature, the low-temperature evaluation of Gibbs energies and heat capacities of selected phases and some low-temperature phase diagrams. Our heat capacities in low-temperature region calculated from first-principles are also presented.
Related projects:	CEITEC - Central European Institute of Technology Komplexní studium fázových diagramů pokročilých kovových materiálů, kombinující ab initio a semiempirické modelování s experimentálními postupy