XTDB, an XML based format for Calphad databases

Calphad, vol. 90, pp. 102849

Abstract

The calculation of phase diagram (Calphad) method uses models that depend on assessed parameters to describe the thermodynamic properties of materials. These model parameters are assessed by researchers and students using experimental and theoretical data on binary and ternary systems that can be merged to multicomponent databases and used to calculate properties and simulate processes for a wide range of materials. There are several different software using the Calphad method for calculations and they may use slightly different models and database formats. This paper will provide a short background on 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 being introduced in the Calphad databases.

Authors 15

1. Bo Sundman corresponding
   Affiliation as printed

   OpenCalphad, Gif sur Yvette, France

2. Fabio Miani

   University of Udine

   Affiliation as printed

   DPIA, University of Udine, Udine, Italy

3. Axel van de Walle

   Brown University

   Affiliation as printed

   School of Engineering, Brown University, Providence, RI, USA

4. Bengt Hallstedt Aachen

   RWTH Aachen University

   Affiliation as printed

   IWM, RWTH Aachen University, Aachen, Germany

5. Ursula R. Kattner

   National Institute of Standards and Technology

   Affiliation as printed

   MSED National Institute od Standards and Technology, Gaithersburg, MD, USA

6. Florian Tang

   GTT-Technologies (Germany)

   Affiliation as printed

   GTT-Technologies, Herzogenrath, Germany

7. Taichi Abe

   National Institute for Materials Science

   Affiliation as printed

   NIMS, Sengen, Tsukuba, Japan

8. Reza Naraghi
   Affiliation as printed

   Thermo-Calc Software AB, Solna, Sweden

9. Erwin Povoden-Karadeniz

   TU Wien

   Affiliation as printed

   TU Wien, Vienna, Austria

10. Aurélie Jacob

    TU Wien

    Affiliation as printed

    TU Wien, Vienna, Austria

11. Shuanglin Chen

    CompuTherm (United States)

    Affiliation as printed

    CompuTherm, Middleton, WI, USA

12. Richard Otis

    California Institute of Technology

    Affiliation as printed

    California Institute of Technology, Pasadena, CA, USA

13. Kazuhisa Shobu
    Affiliation as printed

    RICT, Inc., Saga, Japan

14. Malin Selleby

    KTH Royal Institute of Technology

    Affiliation as printed

    MSE, KTH Royal Institute of Technology, Stockholm, Sweden

15. Alexander Pisch

    Science et Ingénierie des Matériaux et Procédés

    Affiliation as printed

    SIMAP, Saint-Martin d’Hères, France