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
The Atom Probe Tomography group in the Microstructure Physics and Alloy Design department is developing integrated protocols for ultra-high vacuum cryogenic specimen transfer between platforms without exposure to atmospheric contamination.
Here, we aim to develop machine-learning enhanced atom probe tomography approaches to reveal chemical short/long-range order (S/LRO) in a series of metallic materials.
While Density Functional Theory (DFT) is in principle exact, the exchange functional remains unknown, which limits the accuracy of DFT simulation. Still, in addition to the accuracy of the exchange functional, the quality of material properties calculated with DFT is also restricted by the choice of finite bases sets.
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…
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…