Uijttewaal, M.; Hickel, T.; Neugebauer, J.: Ab initio investigation of temperature dependent effects in Ni_{2}MnGa: The pre-martensitic transition. Convention of the SPP 1239, Castle Eichholz in Wesseling, Germany (2007)
Friák, M.; Sander, B.; Ma, D.; Raabe, D.; Neugebauer, J.: Theory-guided design of Ti-binaries for human implants. XVI. International Materials Research Congress, Cancun (Merrida), Mexico (2007)
Petrov, M.; Lymperakis, L.; Neugebauer, J.; Stefaniuk, R.; Dluzewski, P.: Nonlinear Elastic Effects in Group III-Nitrides: From ab-initio to Finite Element Calculation. 17th International Conference on Computer Methods in Mechanics CMM-2007, Spala, Poland (2007)
Petrov, M.; Lymperakis, L.; Neugebauer, J.; Stefaniuk, R.; Dluzewski, P.: Nonlinear Elastic Effects in Group III-Nitrides: From ab-initio to Finite Element Calculation. 17th International Conference on Computer Methods in Mechanics CMM-2007, Spala, Poland (2007)
Neugebauer, J.: Thermodynamic versus Kinetic Stabilization of Short and Long-Range Order in Nitride Based Alloys. Multiscale approach to alloys: advances and challenges, Sigtuna, Sweden (2007)
Neugebauer, J.: Ab initio Determination of Thermodynamic Quantities: Status and Perspectives. The first Sino-German Symposium on Computational Thermodynamics and Kinetics and their Applications to Solidification, Changsha, China (2007)
Hickel, T.; Grabowski, B.; Uijttewaal, M.; Neugebauer, J.: Determination of symmetry-reduced structures by a soft-phonon analysis in magnetic shape memory alloys. Physics Seminar of Loughborough University, Loughborough, UK (2007)
Neugebauer, J.: Computer assisted design of metastable alloys. Leibniz-Institut für Festkörper und Werkstoffforschung International Workshop, Dresden, Germany (2007)
Marquardt, O.; Hickel, T.; Neugebauer, J.: Application of the 8-band k.p-formalism to semiconductor nanostructures. Forschergruppentreffen Uni Bremen, Bremen, Germany (2007)
Neugebauer, J.: Ab initio based growth simulations of group-III-nitrides. Fifth International Conference on Solid State Crystals & Eight Polish Conference on Crystal Growth, Zakopane, Poland (2007)
Hickel, T.; Grabowski, B.; Neugebauer, J.; Marquardt, O.: Department of Computational Materials Design: Present activities and future research. Guided tour in the MPIE of IMPRS-SurMat, Duesseldorf, Germany (2007)
Friák, M.; Sander, B.; Ma, D.; Raabe, D.; Neugebauer, J.: Ab initio prediction of elastic and thermodynamic properties of metals. Seminar in Friedrich-Alexander-Universitaet, Erlangen-Nürnberg, Germany (2007)
Abu-Farsakh, H.; Neugebauer, J.: In-N anti-correlation in InGaAsN alloys: The delicate interplay between adatom thermodynamics and kinetics. Spring meeting of the German Physical Society (DPG), Regensburg, Germany (2007)
Friák, M.; Neugebauer, J.; Sander, B.; Raabe, D.: Theory-guided design of Ti-based binaries for human implants. Spring meeting of the German Physical Society (DPG), Regensburg, Germany (2007)
Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio calculation of free energies and thermodynamic properties of fcc metals. Spring meeting of the German Physical Society (DPG), Regensburg, Germany (2007)
Ismer, L.; Ireta, J.; Neugebauer, J.: Why are pi-helices so seldomly observed in proteins. Spring meeting of the German Physical Society (DPG), Regensburg, Germany (2007)
Kim, O.; Friák, M.; Neugebauer, J.: Ab initio study of the carbon-carbon interaction in iron. Spring meeting of the German Physical Society (DPG), Regensburg, Germany (2007)
Lymperakis, L.; Neugebauer, J.: Ab-initio based multiscale analysis of the 5D configurational space of Grain Boundaries in Aluminum. Spring meeting of the German Physical Society (DPG), Regensburg, Germany (2007)
Marquardt, O.; Hickel, T.; Grabowski, B.; Boeck, S.; Neugebauer, J.: Implementation and application of the k.p-formalism to electronic structure and Coulomb matrix elements. Spring meeting of the German Physical Society (DPG), Regensburg, Germany (2007)
Petrov, M.; Lymperakis, L.; Neugebauer, J.: Nonlinear Elastic Effects in Group III-Nitrides. Spring meeting of the German Physical Society (DPG), Regensburg, Germany (2007)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
In this ongoing project, we investigate spinodal fluctuations at crystal defects such as grain boundaries and dislocations in Fe-Mn alloys using atom probe tomography, electron microscopy and thermodynamic modeling [1,2].
“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 Ni- and Co-based γ/γ’ superalloys are famous for their excellent high-temperature mechanical properties that result from their fine-scaled coherent microstructure of L12-ordered precipitates (γ’ phase) in an fcc solid solution matrix (γ phase). The only binary Co-based system showing this special type of microstructure is the Co-Ti system…
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.