Publications of J. Neugebauer

Neugebauer, J.: Fully ab initio determination of materials properties at finite temperatures. ECMPCA, Porto Heli, Greece (2012)

Neugebauer, J.: Density functional theory: From the chemical bond to microstructural information. Workshop Multiscale Material Modeling 2012, Bad Herrenalb, Germany (2012)

Race, C. P.; von Pezold, J.; Neugebauer, J.: Simulations of Grain Boundary Migration via the Nucleation and Growth of Islands. MSE Congress 2012, Darmstadt, Germany (2012)

Albrecht, M.; Markurt, T.; Schulz, T.; Lymperakis, L.; Duff, A.; Neugebauer, J.; Drechsel, P.; Stauss, P.: Dislocation Mechanisms and Strain Relaxation in the Growth of GaN on Silicon Substrates for Solid State Lighting. International Conference on Extended Defects in Semiconductors, Thessaloniki, Greek (2012)

Körmann, F.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Advancing ab initio methods to finite temperatures: The opening of new routes in materials design. Seminar Talk at Institute on Quantum Materials Science, Yekaterinburg, Russia (2012)

Lymperakis, L.; Albrecht, M.; Neugebauer, J.: Excitonic emission from a-type screw dislocations in GaN. International Conference on Extended Defects in Semiconductors, Thessaloniki, Greek (2012)

Nazarov, R.; Hickel, T.; Neugebauer, J.: Accelerated self-diffusion in fcc metals due to H induced superabundant vacancies. DSL 2012 Conference, Istanbul, Turkey (2012)

Nazarov, R.; Hickel, T.; Neugebauer, J.: H adsorption and absorption on/in carbides. HYDRAMICROS Workshop, Duisburg, Germany (2012)

Neugebauer, J.: Vacancy concentrations from 0K to the melting temperature in unary fcc metals: Discovery of large non-Arrhenius effects. CALPHAD 2012 Meeting, Berkeley, CA, USA (2012)

Raabe, D.; Ponge, D.; Choi, P.; Millán, J.; Sandlöbes, S.; Yuan, L.; Tasan, C. C.; Plancher, E.; Zaefferer, S.; Hickel, T. et al.; Friak, M.; Dick, A.; Inden, G.; Neugebauer, J.: Designing nanostructured metallic bulk alloys via first principles simulations and atomic scale characterization: The basis of modern manufacturing. NIMS Conference 2012, Tsukuba, Japan (2012)

Dick, A.; Körmann, F.; Hickel, T.; Neugebauer, J.: Thermodynamic properties of cementite including magnetic, vibronic, and electronic excitations from ab initio. TMS Annual meeting 2012, Orlando, FL, USA (2012)

Hickel, T.; Sandschneider, N.; Friák, M.; Neugebauer, J.; Ouyang, Y.: Ab initio determination of point defects and derived diffusion properties in metals. TMS Annual meeting 2012, Orlando, FL, USA (2012)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The influence of magnetic excitations on the phase stability of metals and steels. Seminar talk at Forschungszentrum Jülich, Jülich, Germany (2012)

Neugebauer, J.: Ab initio guided materials design: Concepts, prospects and challenges. Seminar Talk at Universität Linz, Linz, Austria (2012)

Neugebauer, J.: Ab initio thermodynamics: Status and perspectives. Workshop at State Key Laboratory of Powder Metallurgy, Central South University, Changsha, China (2012)

Neugebauer, J.: Electric fields, surfaces and adatom kinetics from an ab initio perspective. IFES 2012, Birmingham, AL, USA (2012)

Ponge, D.; Millán, J.; Yuan, L.; Sandlöbes, S.; Kostka, A.; Choi, P.; Zaefferer, S.; Hickel, T.; Inden, G.; Assadi, H. et al.; Kirchheim, H.; Neugebauer, J.; Raabe, D.: Microstructure hierarchy and nanoscale transformations in steels. Workshop on ‘Mathematical challenges of materials science and condensed matter physics: From quantum mechanics through statistical mechanics to nonlinear pde’, Hausdorff Research Institute for Mathematics, Bonn, Germany (2012)

Raabe, D.; Ponge, D.; Choi, P.; Millán, J.; Millán, J.; Sandlöbes, S.; Hickel, T.; Neugebauer, J.: Nanoscale austenite reversion in martensitic and maraging-TRIP steels. 3rd International Symposium on Steel Science, Kyoto, Japan (2012)

Liot, F.; Friák, M.; Hickel, T.; Neugebauer, J.: The influence of ternary additions in the Fe₂Nb C14 Laves phase. ICAMS Advanced Discussions, Bochum, Germany (2012)

Lips, K.; Fehr, M.; Schnegg, A.; Rech, B.; Astakhov, O.; Finger, F.; Pfanner, G.; Freysoldt, C.; Neugebauer, J.; Bittl, R. et al.; Teutloff, C.: The Staebler-Wronski Effect in a-Si:H Revisited with Advanced Electron Paramagnetic Resonance (EPR). MRS Spring Meeting, San Francisco, CA, USA (2012)