Publications of J. Neugebauer

Friák, M.; Counts, W. A.; Ma, D.; Sander, B.; Raabe, D.; Neugebauer, J.: Theory-guided Design of Bone-matched Ti-based Multi-phase Biomaterials. Materials Research Society (MRS) meeting, Boston, MA, USA (2009)

Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Anharmonicity and vacancies in aluminum. MRS Fall Meeting, Boston, MA, USA (2009)

Udyansky, A.; Bugaev, V.; von Pezold, J.; Friák, M.; Neugebauer, J.: An atomistic study of martensitic phases in dilute Fe-based solid solutions. MRS Fall Meeting, Boston, MA, USA (2009)

von Pezold, J.; Lymperakis, L.; Neugebauer, J.: Understanding embrittlement in metals: A multiscale study of the Hydrogen-enhanced local plasticity mechanism. Materials Research Society (MRS) Fall meeting, Boston, MA, USA (2009)

Marquardt, O.; Hickel, T.; Neugebauer, J.: Polarization-induced charge carrier separation in realistic polar and nonpolar grown GaN quantum dots. Collaborative Conference on Interacting Nanostructures CCIN'09, San Diego, CA, USA (2009)

Friak, M.; Raabe, D.; Neugebauer, J.: First-principles based multi-scale approaches to the elasticity of metallic polycrystals and hierarchical bio-composites. AICES meets MPIE workshop, Monschau, Germany (2009)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Highly p-doped GaN:Mg! What hinders the thermal drive-out of hydrogen? 2. Klausurtagung des Graduierten Kollegs: Mikro und Nanostrukturen in der Optoelektronik, Bad Karlshafen, Germany (2009)

Elstnerová, P.; Friák, M.; Neugebauer, J.: Crustacean skeletal elements: Variations in the constructional morphology at different hierarchical levels. Seminar talk at Masaryk University, Brno, Czech Republic (2009)

Hickel, T.; Al-Zubi, A.; Neugebauer, J.: Ab initio investigation of temperature dependent effects in magnetic shape memory Heusler alloys. SPP1239 Fokustreffen A "Fundamentals", Bonn, Germany (2009)

Counts, W. A.; Friak, M.; Raabe, D.; Neugebauer, J.: Ab Initio Determined Materials-Design Limits in Ultra Light-Weight Mg-Li Alloys. 8th International Conference on Magnesium Alloys and their Applications, Weimar, Germany (2009)

Lymperakis, L.; Neugebauer, J.: Adatom Kinetics, Thermodynamics, and Si Incorporation on Non-Polar III-Nitride Surfaces: Implications on Nanowire Growth. 8th nternational Conference on Nitride Semiconductors, Jeju Island, South Korea (2009)

Hickel, T.; Grabowski, B.; Neugebauer, J.: Quantum mechanically based modeling of temperature driven materials phenomena. Colloquium "Material Science on Supercomputers", MPIE, Düsseldorf, Germany (2009)

Todorova, M.; Neugebauer, J.: Extending the Concept of Semiconductor Defect Chemistry to Electro Chemistry: A Novel Approach to Construct ab Initio Electrochemical E/pH Diagrams. 216th ECS Meeting, Vienna, Austria (2009)

Hickel, T.; Körmann, F.; Dick, A.; Neugebauer, J.: Considerations on the magnetic contribution to the free energy of Fe and related alloys. MCA-Fe. International workshop "Modern computational approaches in iron based alloys”, Ekaterinburg, Russia (2009)

Neugebauer, J.: Chancen und Grenzen der ab-initio Modellierung. SFB 761 Industrieberaterkreis, Aachen, Germany (2009)

Neugebauer, J.: Computing the free energy: Possibilities, challenges and limitations of present day ab initio techniques. Workshop: “Modern computational approaches in iron based alloys”, Ekaterinburg, Russia (2009)

Marquardt, O.; Hickel, T.; Neugebauer, J.: Optical properties of polar and nonpolar III-nitride quantum dots. workshop "Physics of nitride-based nanostructured light-emitting devices", Bremen, Germany (2009)

Dick, A.; Hickel, T.; Neugebauer, J.: Thermodynamics of high-Mn steels from ab initio theory. Workshop of the SFB761 "Steel - ab initio", Salzgitter, Germany (2009)

Hickel, T.; Uijttewaal, M.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. 1st International Conference on Material Modeling, Dortmund, Germany (2009)

Ma, D.; Friák, M.; Raabe, D.; Neugebauer, J.: Multi-physical alloy approaches to solid solution strengthening of Al. 1st International Conference on Material Modelling, Dortmund, Germany (2009)