Friák, M.; Zhu, L.-F.; Dick, A.; Hickel, T.; Neugebauer, J.: First-principles study of the Ti-Fe eutectic system. Seminar at Institute of Physics of Materials at Czech Academy of Sciences, Brno, Czech Republic (2010)
Kim, O.; Friák, M.; Neugebauer, J.: Ab initio analysis of the carbon solubility limits in various iron allotropes. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)
Zhu, L.-F.; Dick, A.; Friák, M.; Hickel, T.; Neugebauer, J.: First principles study of thermodynamic, structural and elastic properties of eutectic Ti-Fe alloys. DPG Spring Meeting 2010, Regensburg, Germany (2010)
Zhu, L.-F.; Dick, A.; Friák, M.; Hickel, T.; Neugebauer, J.: First principles study of thermodynamic, structural and elastic properties of eutectic Ti–Fe alloys. March meeting of the American Physical Society (APS), Portland, OR, USA (2010)
Friák, M.; Counts, W. A.; Raabe, D.; Neugebauer, J.: Fundamental Materials-Design Limits in Ultra Light-Weight Mg-Li Alloys Determined from Quantum-Mechanical Calculations. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
Friák, M.; Hubert, J.; Emmerich, H.; Schlieter, A.; Kuehn, U.; Eckert, J.; Neugebauer, J.: Ab Initio Determination of Phase-Field Parameters Needed for Scale-Bridging Studies of Nucleation and Microstructure Formation in the Ti-Fe Eutectic System. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
Friák, M.; Legut, D.; Sob, M.: Ab Initio Study of Extreme Loading Conditions in Transition-Metal Disilicides with the C40 Structure. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
Schlieter, A.; Kuehn, U.; Friák, M.; Hubert, J.; Emmerich, H.; Neugebauer, J.; Eckert, J.: Experimental Investigations of the Ti-Fe-Eutectic System Needed for the Further Understanding of the Microstructural Evolution in an Eutectic Alloy at Different Cooling Rates. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
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…
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.
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.