Publications of J. Neugebauer

Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Integrating finite temperature magnetism into ab initio free energy calculations. ICAMS Scientific Retreat, Akademie Biggesee, Attendorn, Germany (2010)

Himmerlich, M.; Lorenz, P.; Lymperakis, L.; Gutt, R.; Neugebauer, J.; Krischok, S.: GaN(0001) Surface States: A Comparison Between Photoelectron Spectroscopy and Density Functional Theory. International Workshop on Nitride Semiconductors, Tampa, Florida, USA (2010)

Lymperakis, L.; Neugebauer, J.: Ab initio Based Growth Simulations of III-Nitride Nanowires. International Workshop on Nitride Semiconductors, Tampa, Florida, USA (2010)

Grabowski, B.; Hickel, T.; Glensk, A.; Neugebauer, J.: Integrated approach to derive thermodynamic data for pure Al and Al alloys up to the melting point. Psi-k Conference 2010, Berlin, Germany (2010)

Friák, M.; Zhu, L.-F.; Dick, A.; Hickel, T.; Neugebauer, J.: First-principles study of the Ti-Fe eutectic system. Seminar at Institute of Physics of Materials at Czech Academy of Sciences, Brno, Czech Republic (2010)

Neugebauer, J.: Designing novel engineering materials using ab initio based multiscale simulations: Where do we stand? Annual conference of the Doctoral Training Centre in Theory and Simulation of Materials at Imperial College London, London, UK (2010)

Neugebauer, J.: Materials design based on ab initio thermodynamics: Development of accurate and efficient multiscale strategies. Psi-k Conference 2010, Berlin, Germany (2010)

Neugebauer, J.: Stahldesign in der Wunderwelt der Quantenmechanik. Tag der offenen Tür, Stahlzentrum Düsseldorf, Düsseldorf, Germany (2010)

Raabe, D.; Roters, F.; Eisenlohr, P.; Zambaldi, C.; Zaafarani, N.; Bieler, T.; Lebensohn, R.; Neugebauer, J.: Computational Crystal Plasticity. Invited keynote lecture, Conference on Optimising Performance Through Integrated Modelling of Microstructure (OPTIMoM), Cambridge, UK (2010)

Raabe, D.; Roters, F.; Zambaldi, C.; Demir, E.; Zaafarani, N.; Fabritius, H.; Petrov, M.; Friák, M.; Neugebauer, J.: Mechanical size effect analysis in metals and biological materials. Invited keynote lecture, Micromechanics Conference II, Oxford, UK (2010)

Dick, A.; Hickel, T.; Neugebauer, J.: Ab Initio Interfacial Austenite/Martensite Energies for Accurate Deformation Mechanism Maps in High-Mn Steels. Materials Science and Engineering 2010, Darmstadt, Germany (2010)

Hickel, T.; Körmann, F.; Dick, A.; Neugebauer, J.: The thermodynamics of Fe-based compounds derived from first principles. Materials Science and Engineering 2010, Darmstadt, Germany (2010)

Zhu, L.-F.; Friák, M.; Dick, A.; Hickel, T.; Hubert, J.; Emmerich, H.; Schlieter, A.; Kuehn, U.; Eckert, J.; Neugebauer, J.: First-principles study of the Ti-Fe eutectic system. Materials Science and Engineering 2010, Darmstadt, Germany (2010)

Friák, M.; Deges, J.; Stein, F.; Palm, M.; Frommeyer, G.; Neugebauer, J.: Ab Initio Study of Elastic Properties in Fe₃Al-Based Alloys. MSE 2010, Darmstadt, Germany (2010)

Nazarov, R.; Hickel, T.; Neugebauer, J.: Ab initio study on the cross-interaction between magnetism and point defects in fcc Fe. Realistic Theories of Correlated Electrons in Condensed Matter, Volga-River, Moscow, Russia (2010)

Neugebauer, J.: Understanding and designing structural materials. International Materials Research Congress IMRC XIX 2010, Cancun, Mexico (2010)

Neugebauer, J.: Ab initio Multiscale Simulations of Thermodynamic Properties up to the Melting Point. Gordon Research Conference High Temperature Materials, Processes & Diagnostics, Waterville, USA (2010)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio prediction of thermodynamic data for selected phases of the Al-Mg-Si-Cu system. CECAM Summer School on Computational Materials Sciences, San Sebastian, Spain (2010)

Hickel, T.; Grabowski, B.; Körmann, F.; Dick, A.; Neugebauer, J.: Using ab initio methods to predict thermodynamic properties of metals. Summer School: Computational Materials Science, San Sebastian, Spain (2010)

Hickel, T.; Dick, A.; Körmann, F.; Neugebauer, J.: Ab initio Bestimmung thermodynamischer Eigenschaften des Legierungssystems Fe-Mn-C. Sitzung FA Computersimulation der DGM, Aachen, Germany (2010)