Zhu, L.-F.; Neugebauer, J.; Grabowski, B.: A computationally highly efficient ab initio approach for melting property calculations and practical applications. CALPHAD 2024, Mannheim, Germany (2024)
Zhu, L.-F.: Towards high throughput melting property calculations with ab initio accuracy aided by machine learning potential and pyiron workflow. New Horizons in materials design at MPIE, Düsseldorf, Germany (2023)
Here the focus lies on investigating the temperature dependent deformation of material interfaces down to the individual microstructural length-scales, such as grain/phase boundaries or hetero-interfaces, to understand brittle-ductile transitions in deformation and the role of chemistry or crystallography on it.
The group aims at unraveling the inner workings of ion batteries, with a focus on probing the microstructural and interfacial character of electrodes and electrolytes that control ionic transport and insertion into the electrode.
The full potential of energy materials can only be exploited if the interplay between mechanics and chemistry at the interfaces is well known. This leads to more sustainable and efficient energy solutions.
In order to develop more efficient catalysts for energy conversion, the relationship between the surface composition of MXene-based electrode materials and its behavior has to be understood in operando. Our group will demonstrate how APT combined with scanning photoemission electron microscopy can advance the understanding of complex relationships…