Raabe, D.; Gutierrez-Urrutia, I.: Effect of strain path and texture on microstructure in Fe–22 wt.% Mn–0.6 wt.% C TWIP steel. 1st International Conference on High Manganese Steels 2011, Seoul, South Korea (2011)
Steinmetz, D.; Roters, F.; Eisenlohr, P.; Raabe, D.: A dislocation density-based constitutive model for TWIP steels. 1st International Conference on High Manganese Steels, Seoul, South Korea (2011)
Wu, X.; Erbe, A.; Fabritius, H. O.; Raabe, D.: Structure and function of the biological photonic crystals in the scales of a beetle. European Materials Research Society E-MRS Spring Meeting 2011, May 2011, Nice, France (2011)
Raabe, D.: Atomistic understanding of hundred-thousand tons. Bernkastel-Kues Workshop on Possibilities and Limitations of Quantitative Materials Modeling and Characterization, Bernkastel-Kues, Germany (2011)
Tasan, C. C.; Zaefferer, S.; Raabe, D.: Deformation induced dislocation interactions near martensite-ferrite phase boundaries. MRS Fall Meeting 2011, San Francisco, CA, USA (2011)
Roters, F.; Eisenlohr, P.; Raabe, D.: Eine modulare Kristallplastizitäts Implementierung für Anwendungen vom Einkristall bis zum Bauteil. 14. Workshop Simulation in der Umformtechnik, Dortmund, Germany (2011)
Eisenlohr, P.; Roters, F.; Kords, C.; Diehl, M.; Lebensohn, R.A.; Raabe, D.: Combining characterization and simulation of grain-scale plasticity in three dimensions. EBSD Conference 2011 of the Royal Microscopical Society, Düsseldorf, Germany (2011)
Fabritius, H.; Nikolov, S.; Hild, S.; Ziegler, A.; Friák, M.; Neugebauer, J.; Raabe, D.: Mechanical Design Principles of Crustacean Cuticle evaluated experimentally and by Ab initio-based Multiscale Simulations. Institute Colloquium, Institut de Mécanique des Fluides et des Solides, CNRS, Strasbourg, France (2011)
Roters, F.; Eisenlohr, P.; Tjahjanto, D. D.; Kords, C.; Raabe, D.: A modular crystal plasticity framework applicable from component to single grain scale. IUTAM Symposium Linking Scales in Computations: From Microstructure to Macro-scale Properties, Pensacola, FL, USA (2011)
Eisenlohr, P.; Kords, C.; Roters, F.; Raabe, D.: How to capture mesoscale plastic strain gradient effects in a physical way -- a look at dislocation mechanics and computational aspects. MST Symposium, Los Alamos National Laboratory, Los Alamos, NM, USA (2011)
Krüger, T.: Hybrid LB-FEM modeling of dense suspensions of deformable particles under shear. SFB TR6 Seminar, Institut für Theoretische Physik II, HHU Düsseldorf, Germany (2011)
Sandlöbes, S.; Friák, M.; Dick, A.; Zaefferer, S.; Pei, Z.; Neugebauer, J.; Raabe, D.: Combining ab initio calculations and high-resolution experiments to understand advanced Mg alloys. German-Korean workshop on the “Production and industrial applications of semi-finished Mg products”, Irsee, Germany (2011)
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.
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…
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…