Devulapalli, V.; Hans, M.; Prithiv, T. S.; Schneider, J. M.; Dehm, G.; Liebscher, C.: Unravelling the atomic structure and segregation of Ʃ13 [0001] tilt grain boundaries in titanium by advanced STEM. Microscopy Conference 2021 & Multinational Conference on Microscopy 2021, Vienna, Austria (2021)
Sahu, R.; Völker, B.; Stelzer , B.; Chen, X.; Bliem , P.; Hans, M.; Primetzhofer, D.; Schneider, J. M.; Scheu, C.: Phase transitions in Cr2AlC thin films by in situ TEM heating experiment. Fifth Conference on Frontiers of Aberration Corrected Electron Microscopy, PICO 2019, Vaalsbroek, The Netherlands (2019)
Changizi, R.: Structural Analysis and Correlative Cathodoluminescence Investigations of Pr (doped) Niobates. Dissertation, Georessourcen und Materialtechnik, RWTH Aachen (2022)
Yilmaz, C.: Influence of Processing Parameters, Crystallography and Chemistry of Defects on the Microstructure and Texture Evolution in Grain-Oriented Electrical Steels. Dissertation, RWTH Aachen, Germany (2022)
Prithiv, T. S.: Grain boundary segregation of boron and carbon and their local chemical effects on the phase transformations in steels. Dissertation, Faculty of Georesources and Materials Engineering of the RWTH Aachen, Germany (2021)
Evertz, S.: Quantum mechanically guided design of mechanical properties and topology of metallic glasses. Dissertation, Fakultät für Georessourcen und Materialtechnik, RWTH Aachen (2020)
Keuter, P.: Design of materials with anomalous thermophysical properties and desorption-assisted phase formation of intermetallic thin films. Dissertation, RWTH Aachen University (2020)
Sysoltseva, M.: Characterization of aerosols and nanoparticles released during various indoor and outdoor human activities. Dissertation, RWTH Aachen University (2018)
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…
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…
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 project Hydrogen Embrittlement Protection Coating (HEPCO) addresses the critical aspects of hydrogen permeation and embrittlement by developing novel strategies for coating and characterizing hydrogen permeation barrier layers for valves and pumps used for hydrogen storage and transport applications.