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Bo Sundman, Fabio Miani, Axel van de Walle, Bengt Hallstedt, Ursula Kattner, Florian Tang, Taichi Abe, Reza Naraghi, Erwin Povoden-Karadeniz, Aurelie Jacob, Shuanglin Chen, Richard Otis, Kazuhisa Shobu, Malin Selleby, Alexander Pisch
Abstract
The Calphad method uses models which depend on assessed parameters to describe the thermodynamic properties of materials. These model parameters are assessed by researchers and students mainly from experimental data on binary and ternary systems which can be merged to multicomponent databases and used to calculate practically useful properties for a large range of materials. There are several dierent software using the Calphad method for calculations and they can use slightly different models and database formats. This paper will give a short background to the current state of database development and proposes a new format based on the eXtensive Markup Language (XML) as a unified database format. This change is particularly important as several new models for the pure elements are currently introduced in the Calphad databases.
Citation
Calphad-Computer Coupling of Phase Diagrams and Thermochemistry
Pub Type
Journals
Keywords
Computational Thermodynamics, Calphad, Models, Model parameters, Databases, XML
Sundman, B.
, Miani, F.
, van de Walle, A.
, Hallstedt, B.
, Kattner, U.
, Tang, F.
, Abe, T.
, Naraghi, R.
, Povoden-Karadeniz, E.
, Jacob, A.
, Chen, S.
, Otis, R.
, Shobu, K.
, Selleby, M.
and Pisch, A.
(2025),
XTDB, an XML based format for Calphad databases, Calphad-Computer Coupling of Phase Diagrams and Thermochemistry
(Accessed October 6, 2025)