Krüger, T.: Particle-resolved simulation of blood in simple shear flow: Shear-thinning behavior and its microscopic origin(s). Institut für Festkörperforschung, FZ Jülich, Jülich, Germany (2011)
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)
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 development of pyiron started in 2011 in the CM department to foster the implementation, rapid prototyping and application of the highly advanced fully ab initio simulation techniques developed by the department. The pyiron platform bundles the different steps occurring in a typical simulation life cycle in a single software platform and…
This work led so far to several high impact publications: for the first time nanobeam diffraction (NBD) orientation mapping was used on atom probe tips, thereby enabling the high throughput characterization of grain boundary segregation as well as the crystallographic identification of phases.
Smaller is stronger” is well known in micromechanics, but the properties far from the quasi-static regime and the nominal temperatures remain unexplored. This research will bridge this gap on how materials behave under the extreme conditions of strain rate and temperature, to enhance fundamental understanding of their deformation mechanisms. The…
The prediction of materials properties with ab initio based methods is a highly successful strategy in materials science. While the working horse density functional theory (DFT) was originally designed to describe the performance of materials in the ground state, the extension of these methods to finite temperatures has seen remarkable…
The aim of the work is to develop instrumentation, methodology and protocols to extract the dynamic strength and hardness of micro-/nano- scale materials at high strain rates using an in situ nanomechanical tester capable of indentation up to constant strain rates of up to 100000 s−1.
The balance between different contributions to the high-temperature heat capacity of materials can hardly be assessed experimentally. In this study, we develop computationally highly efficient ab initio methods which allow us to gain insight into the relevant physical mechanisms. Some of the results have lead to breakdown of the common…