Rinke, P.; Qteish, A.; Neugebauer, J.; Freysoldt, C.; Scheffler, M.: Combining GW calculations with exact-exchange density-functional theory: An analysis of valence-band photoemission for compound seminconductors. New Journal of Physics 7, pp. 126 - 160 (2005)
Koprek, A.; Cojocaru-Mirédin, O.; Würz, R.; Freysoldt, C.; Raabe, D.: Cd and impurity redistribution at the p-n junction of CIGS based solar cells resolved by atom-probe tomography. In: Photovoltaic Specialist Conference (PVSC), pp. 1 - 6 (Ed. IEEE ). Photovoltaic Specialist Conference (PVSC), 2015 IEEE 42nd , New Orleans, LA, USA, June 14, 2015 - June 19, 2015. (2015)
Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Electrostatic interactions between charged defects in supercells. CECAM Workshop, Lausanne, Switzerland, June 08, 2009 - June 10, 2009. Physica Status Solidi B 248 (5), pp. 1067 - 1076 (2011)
Freysoldt, C.; Katnagallu, S.; Neugebauer, J.; Mishra, A.; Ashton, M. W.: Perspectives for machine learning applied to data-rich experiments on complex materials. Workshop on local probes of chemical bonding and atom probe tomography at RWTH Aachen, Aachen, Germany (2024)
Freysoldt, C.: Exploring data-rich materials analytics with machine learning: how and why. Physikalisches Kolloquium, Universität Marburg, Marburg, Germany (2023)
Hydrogen in aluminium can cause embrittlement and critical failure. However, the behaviour of hydrogen in aluminium was not yet understood. Scientists at the Max-Planck-Institut für Eisenforschung were able to locate hydrogen inside aluminium’s microstructure and designed strategies to trap the hydrogen atoms inside the microstructure. This can…
With the support of DFG, in this project the interaction of H with mechanical, chemical and electrochemical properties in ferritic Fe-based alloys is investigated by the means of in-situ nanoindentation, which can characterize the mechanical behavior of independent features within a material upon the simultaneous charge of H.
The goal of this project is the investigation of interplay between the atomic-scale chemistry and the strain rate in affecting the deformation response of Zr-based BMGs. Of special interest are the shear transformation zone nucleation in the elastic regime and the shear band propagation in the plastic regime of BMGs.
“Smaller is stronger” is well known in micromechanics, but the properties far from the quasi-static regime and the nominal temperatures remain unexplored. This research will bridge this gap on how materials behave under the extreme conditions of strain rate and temperature, to enhance fundamental understanding of their deformation mechanisms. The…
Hydrogen embrittlement (HE) of steel is a great challenge in engineering applications. However, the HE mechanisms are not fully understood. Conventional studies of HE are mostly based on post mortem observations of the microstructure evolution and those results can be misleading due to intermediate H diffusion. Therefore, experiments with a…
Smaller is stronger” is well known in micromechanics, but the properties far from the quasi-static regime and the nominal temperatures remain unexplored. This research will bridge this gap on how materials behave under the extreme conditions of strain rate and temperature, to enhance fundamental understanding of their deformation mechanisms. The…
Biological materials in nature have a lot to teach us when in comes to creating tough bio-inspired designs. This project aims to explore the unknown impact mitigation mechanisms of the muskox head (ovibus moschatus) at several length scales and use this gained knowledge to develop a novel mesoscale (10 µm to 1000 µm) metamaterial that can mimic the…
Microbiologically influenced corrosion (MIC) of iron by marine sulfate reducing bacteria (SRB) is studied electrochemically and surfaces of corroded samples have been investigated in a long-term project.