Saood, S.; Brink, T.; Liebscher, C.; Dehm, G.: Atomic structure of [111] tilt boundaries of Al in relation to their crystallographic parameters. International Microscopy Conference 2023 (IMC-20), Busan, South Korea (2023)
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
Water electrolysis has the potential to become the major technology for the production of the high amount of green hydrogen that is necessary for its widespread application in a decarbonized economy. The bottleneck of this electrochemical reaction is the anodic partial reaction, the oxygen evolution reaction (OER), which is sluggish and hence…
Hydrogen embrittlement is one of the most substantial issues as we strive for a greener future by transitioning to a hydrogen-based economy. The mechanisms behind material degradation caused by hydrogen embrittlement are poorly understood owing to the elusive nature of hydrogen. Therefore, in the project "In situ Hydrogen Platform for…
Complex simulation protocols combine distinctly different computer codes and have to run on heterogeneous computer architectures. To enable these complex simulation protocols, the CM department has developed pyiron.
In order to estimate the kinetics of thermally activated processes, one must determine the energy of the transition state. This transition state is a first-order saddle point on the potential energy surface, i.e., it is a maximum along the reaction coordinate, but a minimum with respect to all other directions in configurational space. We have…
Crystal plasticity modelling has gained considerable momentum in the past 20 years [1]. Developing this field from its original mean-field homogenization approach using viscoplastic constitutive hardening rules into an advanced multi-physics continuum field solution strategy requires a long-term initiative. The group “Theory and Simulation” of…
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…