ICAMS / Interdisciplinary Centre for Advanced Materials Simulation

SAPIENS model platform for Co/Ni-superalloys – integration of experimental and theoretical data

Constitution based functions of the properties of Ni-Co superalloys via CALPHAD are illustrated to define strategies for alloy optimization. The newly established SAPIENS format is extended to an “intelligent” format to allow extrapolation and integration of the first-principles data format. The strength of such data organization is that data are differentiated according to the alloy constitution, thus making use of gradients of material properties consistent with discontinuous gradients between different phases and allowing combination of first-principles data with experimental parameters. The project supports the partner projects with the preparation and application of information from existing public and commercial databases and provides an advanced database structure for collecting, structuring and orderly filing the available data.The project is carried out and funded in the framework of the SFB/TR103 "Superalloy Single Crystals".

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