XTDB, an XML based format for Calphad databases

Published

April 15, 2025

Author(s)

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

Citation

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 9, 2025)