Sandim, M. J. R.; Tytko, D.; Kostka, A.; Choi, P.; Awaji, S.; Watanabe, K.; Raabe, D.: Grain boundary segregation in a bronze-route Nb3Sn superconducting wire studied by atom probe tomography. Superconductor Science and Technology 26, pp. 055008-1 - 055008-7 (2013)
Siboni, N. H.; Raabe, D.; Varnik, F.: Maintaining the equipartition theorem in small heterogeneous molecular dynamics ensembles. Physical Review E 87 (3), pp. 030101-1 - 030101-4 (2013)
Nematollahi, A.; von Pezold, J.; Neugebauer, J.; Raabe, D.: Thermodynamics of carbon solubility in ferrite and vacancy formation in cementite in strained pearlite. Acta Materialia 61 (5), pp. 1773 - 1784 (2013)
Seol, J.-B.; Raabe, D.; Choi, P.; Park, H. S.; Kwak, J. H.; Park, C. G.: Direct evidence for the formation of ordered carbides in a ferrite based low-density Fe–Mn–Al–C alloy studied by transmission electron microscopy and atom probe tomography. Scripta Materialia 68 (6), pp. 348 - 353 (2013)
Titrian, H.; Aydin, U.; Friák, M.; Ma, D.; Raabe, D.; Neugebauer, J.: Self-consistent scale-bridging approach to compute the elasticity of multi-phase polycrystalline materials. Materials Research Society Symposia Proceedings 1524, pp. 17 - 23 (2013)
Gutiérrez-Urrutia, I.; Raabe, D.: Influence of Al content and precipitation state on the mechanical behavior of austenitic high-Mn low-density steels. Scripta Materialia 68 (6), pp. 343 - 347 (2013)
Pinto de Siqueira, R.; Sandim, H. R. Z.; Raabe, D.: Particle Stimulated Nucleation in Coarse-Grained Ferritic Stainless Steel. Metallurgical and Materials Transactions A 44 (1), pp. 469 - 478 (2013)
Woldemedhin, M. T.; Raabe, D.; Hassel, A. W.: Characterization of thin anodic oxides of Ti–Nb alloys by electrochemical impedance spectroscopy. Electrochimica Acta 82, pp. 324 - 332 (2012)
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 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…
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.
The goal of this project is to develop an environmental chamber for mechanical testing setups, which will enable mechanical metrology of different microarchitectures such as micropillars and microlattices, as a function of temperature, humidity and gaseous environment.
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…