Modelling

Materials Modelling

We model materials behaviour using the CALPHAD approach. The assessment of thermo chemical data allows condensing a self-consistent thermodynamic database for multicomponent systems. The database allows to optimize phase diagrams and to pre-calculate materials behaviour of hitherto unexplored compositions for a wide range of conditions. This enables the experimentalists to reduce drastically the number of experiments in materials synthesis and processing.
We also established a new modelling approach for the behaviour of electrochemical reactions at solid gas electrode interfaces. This State Space Modelling (SSM) approach allows the direct interpretation of impedance spectroscopy evaluation of the electrochemical performance of electrodes, fuel cells and other electroceramic components where mass and charge transfer reactions occur.
We will establish the discrete element method for modeling of granular materials in future.

Examples of research subjects are:

• Thermodynamic database for ceramic systems (More ... )
• State Space Modeling of the electrochemistry at the solid gas interfaces (More... )
• Discrete element modelling (DEM) of the mechanical properties of granular material