XTDB, an XML based format for Calphad databases

Bo Sundman; Fabio Miani; Axel van de Walle; Bengt Hallstedt; Ursula R. Kattner; Florian Tang; Taichi Abe; Reza Naraghi; Erwin Povoden-Karadeniz; Aurelie Jacob; Shuanglin Chen; Richard Otis; Kazuhisa Shobu; Malin Selleby; Alexander Pisch

doi:10.1016/j.calphad.2025.102849

Article XTDB, an XML based format for Calphad databases

Bo Sundman ; Fabio Miani ; Axel van de Walle ; Bengt Hallstedt ; Ursula R. Kattner ; Florian Tang ; Taichi Abe (National Institute for Materials Science) ; Reza Naraghi ; Erwin Povoden-Karadeniz ; Aurelie Jacob ; Shuanglin Chen ; Richard Otis ; Kazuhisa Shobu ; Malin Selleby ; Alexander Pisch

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Bo Sundman, Fabio Miani, Axel van de Walle, Bengt Hallstedt, Ursula R. Kattner, Florian Tang, Taichi Abe, Reza Naraghi, Erwin Povoden-Karadeniz, Aurelie Jacob, Shuanglin Chen, Richard Otis, Kazuhisa Shobu, Malin Selleby, Alexander Pisch. XTDB, an XML based format for Calphad databases. Calphad. 2025, 90 (), 102849. https://doi.org/10.1016/j.calphad.2025.102849

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The Calphad method uses models which depend on assessed parameters to describe the thermodynamic properties of materials. These model parame ters are assessed by researchers and students using experimental and theoret ical data on binary and ternary systems which can be merged to multicom ponent databases and used to calculate properties and simulate processes for a wide range of materials. There are several di erent software using the Calphad method for calculations and they can use slightly di erent models and database formats. This paper will give a short background to the current state of database develop ment and proposes a new format based on the eXtensive Markup Language (XML) as a uni ed database format. This change is particularly important as several new models for the pure elements are currently introduced in the Calphad databases.

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