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
The goal of this project is the investigation of interplay between the atomic-scale chemistry and the strain rate in affecting the deformation response of Zr-based BMGs. Of special interest are the shear transformation zone nucleation in the elastic regime and the shear band propagation in the plastic regime of BMGs.
Oxides find broad applications as catalysts or in electronic components, however are generally brittle materials where dislocations are difficult to activate in the covalent rigid lattice. Here, the link between plasticity and fracture is critical for wide-scale application of functional oxide materials.
The fracture toughness of AuXSnY intermetallic compounds is measured as it is crucial for the reliability of electronic chips in industrial applications.
Within this project we investigate chemical fluctuations at the nanometre scale in polycrystalline Cu(In,Ga)Se2 and CuInS2 thin-flims used as absorber material in solar cells.