Neugebauer, J.; Lymperakis, L.; Janßen, J.; Huber, L.; Hickel, T.: Modeling crystal growth and materials design in high dimensional chemical and structural configuration spaces. German Conference on Crystal Growth DKT 2020, München/Garching, Germany (2020)
Neugebauer, J.; Huber, L.; Körmann, F.; Grabowski, B.; Hickel, T.: Ab initio input for multiphysics models: Accuracy, performance and challenges. ISAM4: The fourth International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics, Erlangen, Germany (2019)
Poul, M.; Huber, L.; Bitzek, E.; Neugebauer, J.: Systematic Structure Datasets for Machine Learning Potentials: Application to Moment Tensor Potentials of Magnesium and its Defects. arXiv (2022)
International research team shows how hydrogen affects Nickel-base superalloys at elevated temperatures. Latest results published in journal Nature Materials.
The mission of our group is to uncover the fundamental mechanisms of deformation and degradation in battery systems and to leverage mechanical principles to design damage-resilient energy storage systems.
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 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…