Publications of J. Neugebauer

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)

Nikolov, S.; Petrov, M.; Friak, M.; Sachs, C.; Fabritius, H.; Ma, D.; Lymperakis, L.; Raabe, D.; Neugebauer, J.: Hierarchical modeling of the elastic properties of lobster cuticle via first principles calculations and mean-field homogenization. 1st International Conference on Material Modeling, Dortmund, Germany (2009)

Counts, W. A.; Friak, M.; Raabe, D.; Neugebauer, J.: Theory Guided Design of Bcc Mg–Li Alloys for Ultra Light-Weight Applications. EUROMAT 2009, Glasgow, UK (2009)

Dick, A.; Hickel, T.; Neugebauer, J.: Stacking Fault Energies In Austenitic FeMn Alloys: An Ab Initio Study. Euromat 2009, Glasgow, UK (2009)

Hickel, T.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. Esomat 2009. The 8th European Symposium on Martensitic Transformations, Prague, Czech Republic (2009)

Hickel, T.; Uijttewaal, M.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. Euromat 2009, Glasgow, UK (2009)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Towards a first-principles understanding of the iron phase diagram. Euromat 2009, Glasgow, UK (2009)

Ma, D.; Friák, M.; Raabe, D.; Neugebauer, J.: Investigation of solid solution strengthening by density functional theory. EUROMAT 2009, Glasgow, Scotland, UK (2009)

Nikolov, S.; Petrov, M.; Friak, M.; Sachs, C.; Fabritius, H.; Ma, D.; Lymperakis, L.; Raabe, D.; Neugebauer, J.: Multi-Scale Hierarchical Modeling of the Mechanical Properties of Lobster Cuticle. EUROMAT 2009, Glasgow, UK (2009)

Udyansky, A.; von Pezold, J.; Friák, M.; Neugebauer, J.: Influence of long-range C–C elastic interactions on the structural stability of dilute Fe–C solid solutions. EUROMAT 2009, Glasgow, UK (2009)

von Pezold, J.; Lymperakis, L.; Neugebauer, J.: A multiscale study of the Hydrogen-enhanced local plasticity (HELP) mechanism. Euromat 2009, Glasgow, U.K. (2009)

Holec, D.; Friak, M.; Dlouhy, A.; Neugebauer, J.: Ab initio search for the NiTi ground state with shape-memory ability. ESOMAT 2009, Prague, Czech Republic (2009)