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 researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
In this ongoing project, we investigate spinodal fluctuations at crystal defects such as grain boundaries and dislocations in Fe-Mn alloys using atom probe tomography, electron microscopy and thermodynamic modeling [1,2].
The aim of the Additive micromanufacturing (AMMicro) project is to fabricate advanced multimaterial/multiphase MEMS devices with superior impact-resistance and self-damage sensing mechanisms.
The Ni- and Co-based γ/γ’ superalloys are famous for their excellent high-temperature mechanical properties that result from their fine-scaled coherent microstructure of L12-ordered precipitates (γ’ phase) in an fcc solid solution matrix (γ phase). The only binary Co-based system showing this special type of microstructure is the Co-Ti system…
In this project, we employ atomistic computer simulations to study grain boundaries. Primarily, molecular dynamics simulations are used to explore their energetics and mobility in Cu- and Al-based systems in close collaboration with experimental works in the GB-CORRELATE project.