Publications of J. Neugebauer

Hickel, T.; Grabowski, B.; Körmann, F.; Dick, A.; Neugebauer, J.: The accuracy of first principles methods inpredicting thermodynamic properties of metals. XVIII International Material Research Conference, Cancun, Mexico (2009)

Raabe, D.; Roters, F.; Eisenlohr, P.; Zaefferer, S.; Tjahjanto, D. D.; Demir, E.; Ma, D.; Bieler, T. R.; Hantcherli, L.; Friak, M. et al.; Neugebauer, J.: Overview of the crystal plasticity finite element method. THERMEC 2009, Berlin, Germany (2009)

Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Fundamental materials-design limits in ultra light-weight Mg-Li alloys determined from ab initio calculations. Seminar in the Department of Low Dimensional Structures and Metastable Phases at the Max Planck Institute for Metals Research, Stuttgart, Germany (2009)

Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Ab initio determined materials-design limits in ultra light-weight Mg-Li alloys. Seminar in the Department of Strukture at the Institute of Physics of Materials of the Academy of Sciences of the Czech Republic and Institute of Chemistry of the Faculty of Sciences of Masaryk University, Brno, Czech Republic (2009)

Friák, M.; Sander, B.; Ma, D.; Counts, W. A.; Raabe, D.; Neugebauer, J.: Ab-initio based multi-scale approaches to the elasticity of polycrystals. Seminar at the Department of Physical Metallurgy and Materials Testing at Montan Universität Leoben, Leoben, Austria (2009)

Friák, M.; Sob, M.; Kim, O.; Ismer, L.; Neugebauer, J.: Ab initio calculation of phase boundaries in iron along the bcc-fcc transformation path and magnetism of iron overlayers. Seminar at the Department of Materials Physics at Montan Universität Leoben, Leoben, Austria (2009)

Neugebauer, J.: Materials Design based on Ab Initio Thermodynamics: Status, Perspectives, and Trends. Colloquium Talk at Institut für Materialprüfung, Werkstoffkunde und Festigkeitslehre, Universität Stuttgart, Stuttgart, Germany (2009)

Lymperakis, L.; von Pezold, J.; Neugebauer, J.: Atomistic calculations of interfaces: Bridging the relevant scales. Institute’s Colloquium, Institut für Gesteinshüttenkunde, Aachen, Germany (2009)

Neugebauer, J.; Grabowski, B.; Körmann, F.; Dick, A.; Hickel, T.: Ab Initio Thermodynamics: Status, applications and challenges. The second Sino-German Symposium on “Computational Thermodynamics and Kinetics and Their Applications to Solidification”, Kornelimünster/Aachen, Germany (2009)

Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Fully ab initio supercell corrections for charged defects. CECAM workshop "Which Electronic Structure Method for the Study of Defects?", Lausanne, Switzerland (2009)

Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. 2nd Sino-German Symposium on Computational Thermodynamics and Kinetics and their Application to Solidification, Aachen, Germany (2009)

Neugebauer, J.: Computing free energy contributions of point defects. ECAM conference: Which Electronic Structure Method for the Study of Defects?, Lausanne, Switzerland (2009)

Neugebauer, J.: Materials Design Based On Ab Initio Thermodynamics And Kinetics: Present Status And Perspectives. Colloquium at Universität Gießen, Gießen, Germany (2009)

Raabe, D.; Friák, M.; Nikolov, S.; Ma, D.; Roters, F.; Neugebauer, J.: Modern Methods of Multiscale Modeling. Colloquium at TU Darmstadt to celebrate 20 years of Materials Science Faculty at the TU Darmstadt, Darmstadt, Germany (2009)

Hickel, T.; Grabowski, B.; Ismer, L.; Neugebauer, J.: Role of Atomistic Simulations in the Prediction of Thermodynamic Properties of Materials. Workshop on Multi-Scale Computational Materials Design of Structural Materials, POSCO international center, Pohang, South Korea (2009)

Hickel, T.; Grabowski, B.; Körmann, F.; Dick, A.; Neugebauer, J.: The accuracy of first principles methods in predicting thermodynamic properties of metals. Asia Steel 2009, Busan, South Korea (2009)

von Pezold, J.; Lymperakis, L.; Neugebauer, J.: A multiscale study of the Hydrogen enhanced local plasticity (HELP) mechanism. Asia Steel Conference 2009, Busan, South Korea (2009)

Dick, A.; Hickel, T.; Neugebauer, J.: First Principles Predictions of Stacking Fault Properties in FeMn Alloys. Asia Steel Conference 2009, Busan, South Korea (2009)

Neugebauer, J.: Multi-Scale Computational Materials Design of Structural Materials: First-Principles Calculations. Workshop at Pohang University of Science and Technology, Pohang, South Korea (2009)

Neugebauer, J.: Ab initio based multiscale modeling of engineering materials: From a predictive thermodynamic description to tailored mechanical properties. Asia Steel Conference, Busan, South Korea (2009)