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)
Keuter, P.: Design of materials with anomalous thermophysical properties and desorption-assisted phase formation of intermetallic thin films. Dissertation, RWTH Aachen University (2020)
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
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.
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.
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…
The structures of grain boundaries (GBs) have been investigated in great detail. However, much less is known about their chemical features, owing to the experimental difficulties to probe these features at the near-atomic scale inside bulk material specimens. Atom probe tomography (APT) is a tool capable of accomplishing this task, with an ability…
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.
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 structure of grain boundaries (GBs) is dependent on the crystallographic structure of the material, orientation of the neighbouring grains, composition of material and temperature. The abovementioned conditions set a specific structure of the GB which dictates several properties of the materials, e.g. mechanical behaviour, diffusion, and…
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…