Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Ab initio determined materials-design limits in ultra light-weight Mg-Li alloys. Seminar in the Department of Strukture at the Institute of Physics of Materials of the Academy of Sciences of the Czech Republic and Institute of Chemistry of the Faculty of Sciences of Masaryk University, Brno, Czech Republic (2009)
Friák, M.; Sander, B.; Ma, D.; Counts, W. A.; Raabe, D.; Neugebauer, J.: Ab-initio based multi-scale approaches to the elasticity of polycrystals. Seminar at the Department of Physical Metallurgy and Materials Testing at Montan Universität Leoben, Leoben, Austria (2009)
Dmitrieva, O.; Dondl, P.; Müller, S.; Raabe, D.: Microstructure in shear deformed copper single crystals. Final meeting of the Research Group 797, MPI für Eisenforschung GmbH, Düsseldorf, Germany (2009)
Gutierrez-Urrutia, I.; Zaefferer, S.; Raabe, D.: Quantitative electron channelling contrast imaging: A promising tool for the study of dislocation structures in SEM. Electron Backscatter Diffraction Meeting, Swansea, UK (2009)
Khorashadizadeh, A.; Raabe, D.; Winning, M.: Microstructure and texture evolution during high pressure torsion of a Cu0.17wt%Zr alloy. DPG Frühjahrstagung 2009, Dresden, Germany (2009)
Ma, D.; Friák, M.; Raabe, D.; Neugebauer, J.: Multi-physical alloy approaches to solid solution strengthening of Al. Deutsche Physikalische Gesellschaft 2009, Dresden, Germany (2009)
Ma, D.; Raabe, D.; Roters, F.; Maaß, R.; Van Swygenhoven, H.: Crystal Plasticity finite element method study on small scale plasticity. Deutsche Physikalische Gesellschaft 2009, Dresden, Germany (2009)
Dmitrieva, O.; Dondl, P.; Müller, S.; Raabe, D.: Structural investigations of the orientation patterning in plastically deformed single crystals. TMS 2009 Annual Meeting, San Francisco, CA, USA (2009)
Fabritius, H.; Hild, S.; Nikolov, S.; Ziegler, A.; Raabe, D.; Friák, M.; Neugebauer, J.: Variations in the constructional morphology of crustacean skeletal elements at different hierarchical levels. Third International Conference on Mechanics of Biomaterials & Tissues ICMOBT 2009, Clearwater, FL, USA (2009)
Ma, D.; Friák, M.; Knezevic, M.; Kalidindi, S. R.; Lebensohn, R. A.; Roters, F.; Neugebauer, J.; Raabe, D.: Polycrystal coarse graining of elastic properties for Ti-Nb biomedical grades using ab-initio single crystal elastic constants. International Plasticity Conference 2009, Virgin Islands, USA (2009)
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
It is very challenging to simulate electron-transfer reactions under potential control within high-level electronic structure theory, e. g. to study electrochemical and electrocatalytic reaction mechanisms. We develop a novel method to sample the canonical NVTΦ or NpTΦ ensemble at constant electrode potential in ab initio molecular dynamics…
Photovoltaic materials have seen rapid development in the past decades, propelling the global transition towards a sustainable and CO2-free economy. Storing the day-time energy for night-time usage has become a major challenge to integrate sizeable solar farms into the electrical grid. Developing technologies to convert solar energy directly into…
Crystal Plasticity (CP) modeling [1] is a powerful and well established computational materials science tool to investigate mechanical structure–property relations in crystalline materials. It has been successfully applied to study diverse micromechanical phenomena ranging from strain hardening in single crystals to texture evolution in…
The field of micromechanics has seen a large progress in the past two decades, enabled by the development of instrumented nanoindentation. Consequently, diverse methodologies have been tested to extract fundamental properties of materials related to their plastic and elastic behaviour and fracture toughness. Established experimental protocols are…
Statistical significance in materials science is a challenge that has been trying to overcome by miniaturization. However, this process is still limited to 4-5 tests per parameter variance, i.e. Size, orientation, grain size, composition, etc. as the process of fabricating pillars and testing has to be done one by one. With this project, we aim to…