Gomell, L.: Advancing the understanding of the microstructure-property relationship in non-toxic and cost-effective thermoelectric Heusler compounds. Dissertation, Fakultät für Georessourcen und Materialtechnik der RWTH Aachen, Germany (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)
Mayweg, D.: Microstructural characterization of white etching cracks in 100Cr6 bearing steel with emphasis on the role of carbon. Dissertation, RWTH Aachen University (2021)
Schweinar, K.: Advancements in the understanding of Ir-based water splitting catalysts at the near-atomic scale. Dissertation, Ruhr-Universität Bochum (2021)
Varanasi, R. S.: Mechanisms of refinement and deformation of novel ultrafine-grained medium manganese steels with improved mechanical properties. Dissertation, Ruhr-Universität Bochum (2021)
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
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.
Magnetic materials enable the electrification of transport, communication, energy, and manufacturing. They serve for instance as hard magnets in electrical motors or as soft magnets in transformers. Their remanence, coercivity, and hysteresis losses determine the efficiency of devices that are urgently needed for enabling society and economy to use…
In this project we developed a phase-field model capable of describing multi-component and multi-sublattice ordered phases, by directly incorporating the compound energy CALPHAD formalism based on chemical potentials. We investigated the complex compositional pathway for the formation of the η-phase in Al-Zn-Mg-Cu alloys during commercial…
The project HyWay aims to promote the design of advanced materials that maintain outstanding mechanical properties while mitigating the impact of hydrogen by developing flexible, efficient tools for multiscale material modelling and characterization. These efficient material assessment suites integrate data-driven approaches, advanced…
A novel design with independent tip and sample heating is developed to characterize materials at high temperatures. This design is realized by modifying a displacement controlled room temperature micro straining rig with addition of two miniature hot stages.
Many important phenomena occurring in polycrystalline materials under large plastic strain, like microstructure, deformation localization and in-grain texture evolution can be predicted by high-resolution modeling of crystals. Unfortunately, the simulation mesh gets distorted during the deformation because of the heterogeneity of the plastic…