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New features implemented in the Open CALPHAD software project

Bo Sundman, KTH Royal Institute of Technology, Stockholm, Sweden

Mauro Palumbo, Ruhr-Universität Bochum, Bochum, Germany

Ursula Kattner, National Institute of Standards and Technology, Gaithersburg, USA

Suzana Fries, Ruhr-Universität Bochum, Bochum, Germany

Time & Place
  • Date: 01.06.2014
  • Time:
  • Place: CALPHAD XLIII, Changsha, China

Abstract

The Open Calphad project of a free software for thermodynamic calculations is progressing and after the first release available in March 2013 on the web http://www.opencalphad.org there have been some feedback from users providing corrections of errors and implementations of new features, mainly for the application software interface. Several internal data structure problems has also been solved and multi-component calculations of single equilibria is now working satisfactory.

Most of the efforts have been devoted to provide phase diagram calculations and at present binary phase diagram is possible but still not very reliable. A planned release of a second version has been delayed until the end of 2014, partially also due to the need for completing the documentation and an updated user guide.

The current status of the software will be shown on this poster and interested users are welcome.

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