von Pezold, J.; Neugebauer, J.: Hydrogen enhanced local plasticity - An atomistic study. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)
Neugebauer, J.: Ab initio design of engineering materials: Status and challenges. UCSB-MPG Workshop on Inorganic Materials for Energy Conversion, Storage and Conservation, UCLA Lake Arrowhead Conference Center, CA, USA (2008)
Neugebauer, J.: Ab initio based modeling of engineering materials: From a predictive thermodynamic description to tailored mechanical properties. UCSB Seminar, University of California, Santa Barbara, USA (2008)
Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: First principles Determination of Phase Transitions in Magnetic Shape Memory Alloys. Group Seminar in Materials Department, University of California (UCSB), Santa Barbara, CA, USA (2008)
Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Using Ab Initio to Predict Engineering Parameters in bcc Magnesium-Lithium Alloys. Deutsche Physikalische Gesellschaft Meeting, Berlin, Germany (2008)
Neugebauer, J.: Ab initio basiertes Computergestütztes Materialdesign: Von der chemischen Bindung zu realen Werkstoffeigenschaften. Seminar at the TU Clausthal, TU Clausthal, Germany (2008)
Marquardt, O.; Hickel, T.; Neugebauer, J.: Optical properties of semiconductor nanostructures, a PW-approach to real-space properties. MRL seminar at UCSB, UCSB, Santa Barbara, USA (2008)
Grabowski, B.; Hickel, T.; Neugebauer, J.: From ab initio to materials properties: Accuracy and error bars of DFT thermodynamics. Phonon Workshop, Krakau, Poland (2007)
Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: Determination of symmetry reduced structures by a soft-phonon analysis in magnetic shape memory alloys. 2nd Workshop on ab initio phonon calculations, Cracow, Poland (2007)
Neugebauer, J.: Ab initio thermodynamic and kinetics based on material design: Present status and perspectives. Seminar at the University of Oxford, Dept. of Materials, Oxford, UK (2007)
Friák, M.; Sander, B.; Ma, D.; Raabe, D.; Neugebauer, J.: Phase stability and mechanical properties of alloys. International Max-Planck Workshop on Multiscale Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)
Neugebauer, J.: Ab initio thermodynamics. International Max-Planck Workshop Multiscale Materials Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)
Friák, M.; Neugebauer, J.: First principles study of the anomalous volume-composition effect in Fe-Al and Fe-Ga alloys. 4th Discussion Meeting on the Development of Innovative Iron Aluminum Alloys, Interlaken, Switzerland (2007)
Abu-Farsakh, H.; Neugebauer, J.: Ab-initio study of the thermodynamics and kinetics of N at GaAs(001) surface. PAW workshop 2007, Goslar, Germany (2007)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
“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 precipitation of intermetallic phases from a supersaturated Co(Nb) solid solution is studied in a cooperation with the Hokkaido University of Science, Sapporo.
In this project, we employ atomistic computer simulations to study grain boundaries. Primarily, molecular dynamics simulations are used to explore their energetics and mobility in Cu- and Al-based systems in close collaboration with experimental works in the GB-CORRELATE project.
This project is a joint project of the De Magnete group and the Atom Probe Tomography group, and was initiated by MPIE’s participation in the CRC TR 270 HOMMAGE. We also benefit from additional collaborations with the “Machine-learning based data extraction from APT” project and the Defect Chemistry and Spectroscopy group.