| PAVLŮ, Jana, Jan VŘEŠŤÁL, Pavel BROŽ, Martina MAZALOVÁ, Peter Franz ROGL a Mojmír ŠOB. Modelling in Mn-based systems. In Intermetallics 2015, Bad Staffelstein, Germany, 2015. 2015. |
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@proceedings{1340806,
author = {Pavlů, Jana and Vřešťál, Jan and Brož, Pavel and Mazalová, Martina and Rogl, Peter Franz and Šob, Mojmír},
booktitle = {Intermetallics 2015, Bad Staffelstein, Germany, 2015.},
keywords = {Mn-based systems; Mn-Ta; Mn-Ti; ab initio calculations; CALPHAD modelling},
language = {eng},
title = {Modelling in Mn-based systems},
year = {2015}
}
TY - CONF
ID - 1340806
AU - Pavlů, Jana - Vřešťál, Jan - Brož, Pavel - Mazalová, Martina - Rogl, Peter Franz - Šob, Mojmír
PY - 2015
TI - Modelling in Mn-based systems
KW - Mn-based systems
KW - Mn-Ta
KW - Mn-Ti
KW - ab initio calculations
KW - CALPHAD modelling
N2 - A combined ab initio and CALPHAD modelling was performed including the results of previous studies. To get the information on energetics of hypothetical phases inevitable in thermodynamic modelling (end members), ab initio calculations based on equilibrium structure parameters were performed. This work presents the implementation of ab initio data to the thermodynamic assessments and phase diagram calculations of the above mentioned systems. The comparison of calculations with experimental data, especially from is presented.
ER -
PAVLŮ, Jana, Jan VŘEŠŤÁL, Pavel BROŽ, Martina MAZALOVÁ, Peter Franz ROGL a Mojmír ŠOB. Modelling in Mn-based systems. In \textit{Intermetallics 2015, Bad Staffelstein, Germany, 2015.}. 2015.
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