Computational Phase Diagram Database (CPDDB)
On Computational Phase Diagram Database, the Gibbs energy functions of the phases are accumulated in a form of TDB (Thermodynamic DataBase) files, which are obtained from the CALPHAD-type thermodynamic assessments. With the TDB files, various thermodynamic quantities, phase equilibria and phase diagrams are able to be calculated on the commercial thermodynamic software packages. The current database includes more than 700 unary, binary, and higher-order systems.
We're now offering a Python module that provides the Gibbs free energy of solution phases from TDB files, aimed at researchers and engineers working on applications that need free energy functions.
We have started collecting digitalized-phase diagram files (PDDB files) as a new way of representing phase diagrams. This makes it possible to find phase boundaries by searching rather than by calculations. By layering the thermodynamic quantities and properties on the digitalized phase diagrams, "thermodynamic information system (TIS)" will be constructed. To use PDDB files (JSON format), DigiPD program is required. Demo version can be download from this web site.
Links
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Disclaimer
- National Institute for Materials Science (NIMS) holds the copyright of this database system.
- No reproduction, republication or distribution to third parties of any content is permitted without written permission of NIMS.
- NIMS takes no responsibility for any damage incurred by the user as a result of using this database system.
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