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Generic Calphad

The aim of the project is to develop models and descriptions for the next generation of thermodynamic databases.

Thermodynamic descriptions of alloy systems form the basis for all applied models and simulations (e.g. DICTRA, TC-PRISMA, Ms-calc, etc.). The multicomponent data-bases that will be used in the Materials design projects belong to the second generation of thermodynamic databases. With improved models and increased use of DFT calculations, it is possible to improve these descriptions.

Within Generic Calphad project a new set of the elements is developed and, as a consequence, binaries and higher order systems are re-evaluated using improved models. These descriptions are building blocks for the third generation of Calphad databases that is emerging. In order to harmonize the descriptions the models and methods are being discussed internationally. The selection of alloy systems is based on the needs of the Materials design projects.

Project facts

Project started: 2013

Project leader: Malin Selleby

KTH PhD students, Postdoctoral researchers or researchers: Zhangting He, Fredrik Haglöf, Huahai Mao