Brink, T.; Milanese, E.; Frérot, L.; Molinari, J.-F.: Simulation of adhesive wear mechanisms at the nanoscale and an approach towards mesoscale models. MSE Congress, Darmstadt, Germany (2022)
Frommeyer, L.; Brink, T.; Dehm, G.; Liebscher, C.: Atomic scale observations of Ag segregation in a high angle grain boundary in Cu. PICO 2022, Kasteel Vaalsbroek, The Netherlands (2022)
Frommeyer, L.; Brink, T.; Freitas, R.; Frolov, T.; Dehm, G.; Liebscher, C.: Characterization of the atomic structure of grain boundary phases in pure Cu. Sixth Conference on Frontiers of Aberration Corrected Electron Microscopy PICO 2021, vitual, Kasteel Vaalsbroek, The Netherlands (2021)
Brink, T.: Thermodynamics. Lecture: Lecture on Thermodynamics, Max Planck Institut für Eisenforschung (demnächst Max Planck Institute for Sustainable Materials), 4 lectures à 2 h, Düsseldorf, Germany, May 14, 2024 - June 11, 2024
Max Planck scientists design a process that merges metal extraction, alloying and processing into one single, eco-friendly step. Their results are now published in the journal Nature.
Scientists of the Max-Planck-Institut für Eisenforschung pioneer new machine learning model for corrosion-resistant alloy design. Their results are now published in the journal Science Advances
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…
The computational materials design department in collaboration with the Technical University Darmstadt and the Ruhr University Bochum developed a workflow to calculate phase diagrams from ab-initio. This achievement is based on the expertise in the ab-initio thermodynamics in combination with the recent advancements in machine-learned interatomic…
It is very challenging to simulate within DFT extreme electric fields (a few 1010 V/m) at a surface, e.g. for studying field evaporation, the key mechanism in atom probe tomography (APT). We have developed a straight-forward scheme to incorporate an ideal plate counter-electrode in a nominally charged repeated-slab calculation by means of a generalized dipole correction of the standard electrostatic potential obtained from fully periodic FFT.