ICAMS / Interdisciplinary Centre for Advanced Materials Simulation


The Open Calphad initiative

Date: 03.03.2013
Place: TMS 2013, San Antonio, USA

Bo Sundman, Department of Materials Science and Engineering, KTH Royal Institute of Technology, Stockholm, Sweden
Ursula Kattner, Department of Metallurgy Division, National Institute of Standards and Technology, Gaithersburg, USA
Mauro Palumbo
Suzana Fries

Thermodynamics is at the core of materials science. The Calphad method, a powerful tool for materials design and engineering applications, has been shown to be also an excellent platform for linking experiments and theoretical, quantum mechanics based results thereby greatly contributing to the understanding of materials and their properties. The application of Calphad requires models that can describe pure elements and multicomponent alloys. Most of today’s databases and software are proprietary restricting expansion and development of new models and their integration into software tools for materials simulations. This presentation describes the implementation of the Open Calphad initiative to develop free high quality software for thermodynamic calculations and databases with parametric physical models of the pure elements as basis for multicomponent databases. Together with kinetic models and data this initiative provides a highly structured approach for microstructure and continuum simulations. This initiative welcomes participants who will assure its development and continuity.

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