Extension of Gibbs energy data for pure elements to zero Kelvin temperature : abstrakt
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F12%3A00066855" target="_blank" >RIV/00216224:14740/12:00066855 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Extension of Gibbs energy data for pure elements to zero Kelvin temperature : abstrakt
Original language description
On the basis of ab initio electronic structure calculations, we provided a thermodynamic modelling of Laves and rhombohedral phases using CALPHAD method. A new analysis of Laves phase- rhombohedral phase transformation is discussed using ab initio calculated total energies and phonon spectra. For a proper description of the transformation from non-Laves phase to Laves phase, the extension of SGTE unary data to zero Kelvin temperature was employed.
Czech name
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Czech description
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Classification
Type
O - Miscellaneous
CEP classification
BJ - Thermodynamics
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů