Todorova, M.; Surendralal, S.; Wippermann, S. M.; Deißenbeck, F.; Neugebauer, J.: Processes at solid/liquid interfaces – insights from ab initio molecular dynamics simulations with potential control. AMaSiS 2021 Online - Applied Mathematics and Simulation for Semiconductors and Electrochemical Systems, Berlin, Germany (2021)
Todorova, M.; Surendralal, S.; Wippermann, S. M.; Deißenbeck, F.; Neugebauer, J.: Insights into processes at electrochemical solid/liquid interfaces from ab initio molecular dynamics simulations. ICTP-Workshop on “Physics and Chemistry of Solid/Liquid Interfaces for Energy Conversion and Storage”, Virtual Meeting, Trieste, Italy (2021)
Deißenbeck, F.: Development of an ab initio electrochemical cell: Understanding the dielectric properties of interfacial water and Mg dissolution from first principles. Dissertation, Philipps-Universität Marburg, Germany (2024)
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].
“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…
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.