Roters, F.; Diehl, M.; Shanthraj, P.: On the importance of using 3D microstructures in Crystal Plasticity Simulations. Symposium: 3D materials characterization at all length scales and its applications to iron and steel, Düsseldorf, Germany (2017)
Liu, C.; Diehl, M.; Shanthraj, P.; Roters, F.; Raabe, D.; Sandlöbes, S.; Dong, J.: An integrated crystal plasticity-phase field approach to locally predict twin formation in magnesium. DGM Meeting, "Herausforderungen bei der skalenübergreifenden Modellierung von Werkstoffen ", Regensburg, Germany (2017)
Roters, F.; Wong, S. L.; Shanthraj, P.; Diehl, M.; Raabe, D.: Thermo mechanically coupled simulation of high manganese TRIP/TWIP Steel. 5th International Conference on Material Modeling, ICMM 5, Rome, Italy (2017)
Diehl, M.: Deformation in polycrystals: Theory, implementation, and application of crystal plasticity. Seminar des Instituts für technische Mechanik, TU Clausthal, Clausthal, Germany (2017)
Diehl, M.; Cereceda, D.; Wong, S. L.; Reuber, J. C.; Roters, F.; Raabe, D.: From Phenomenological Descriptions to Physics-based Constitutive Models EPSRC Workshop on Multiscale Mechanics of Deformation and Failure in Materials. EPSRC Workshop on Multiscale Mechanics of Deformation and Failure in Materials
, Aberdeen, Scotland (2016)
Marian, J.; Cereceda, D.; Diehl, M.; Roters, F.; Raabe, D.: Unraveling the temperature dependence of the yield strength of tungsten single crystals using atomistically-informed crystal plasticity. 8th International Conference on Multiscale Materials Modeling, MMM2016, Dijon, France (2016)
Cereceda, D.; Diehl, M.; Roters, F.; Raabe, D.; Marian, J.: Unraveling the temperature dependence of the yield strength in BCC metals from atomistically-informed crystal plasticity calculation. Dislocations 2016, Purdue University, West Lafayette, IN, USA (2016)
Diehl, M.; Eisenlohr, P.; Shanthraj, P.; Roters, F.: Using the Spectral Solver. 5th International Symposium on Computational Mechanics of Polycrystals, CMCn 2016 and first DAMASK User Meeting, Düsseldorf, Germany (2016)
Diehl, M.; Naunheim, Y.; Morsdorf, L.; An, D.; Roters, F.; Raabe, D.: Crystal Plasticity Simulations on Real Data: Towards Highly Resolved 3D Microstructures. 26th International Workshop on Computational Mechanics of Materials - IWCMM 26, Tomsk, Russia (2016)
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.