Talk (442)

501.
Talk
Friák, M.; Elstnerová, P.; Lymperakis, L.; Petrov, M.; Hickel, T.; Fabritius, H.-O.; Ziegler, A. S.; Nikolov, S.; Hild, S.; Raabe, D. et al.; Neugebauer, J.: Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite. TMS 2011, San Diego, CA, USA (2011)
502.
Talk
Elstnerová, P.; Friák, M.; Fabritius, H. O.; Hickel, T.; Lymperakis, L.; Petrov, M.; Nikolov, S.; Hild, S.; Ziegler, A.; Neugebauer, J.: Enhancing mechanical properties of calcite by Mg substitutions: A quantum-mechanical study. Multiscale design modeling 2010, Brno, Czech Republic (2010)
503.
Talk
Hickel, T.; Körmann, F.; Dick, A.; Neugebauer, J.: Thermodynamic data of Fe-based alloys derived from first principles. MRS Spring Meeting 2010, Boston, MA, USA (2010)
504.
Talk
Raabe, D.; Roters, F.; Dmitrieva, O.; Dick, A.; Hickel, T.; Zaefferer, S.; Ponge, D.; Neugebauer, J.: Crystal mechanics of the martensitic transformation: Crystal plasticity, ab initio models, experiments. Colloquium Lecture, Institute for Mechanics, University of Dortmund, Dortmund, Germany (2010)
505.
Talk
Raabe, D.; Roters, F.; Eisenlohr, P.; Fabritius, H.; Nikolov, S.; Petrov, M.; Dmitrieva, O.; Hickel, T.; Friak, M.; Ma, D. et al.; Neugebauer, J.: Using ab-initio based multiscale models and experiments for alloy design. Colloquium Lecture, Institute for High Performance Computing, Agency of Science, Technology and Research, Singapore City, Singapore (2010)
506.
Talk
Hickel, T.; Grabowski, B.; Körmann, F.; Friák, M.; Al-Zubi, A.; Glensk, A.; Dick, A.; Neugebauer, J.: Phase stabilities of metals at finite temperatures: Ab initio meets CALPHAD. 468. WE-Heraeus-Seminar, Ab intio Description of Iron and Steel (ADIS2010): Mechanical Properties, Ringberg, Germany (2010)
507.
Talk
Hickel, T.; Al-Zubi, A.; Uijttewaal, M.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. Multiscale Materials Modelling, Freiburg, Germany (2010)
508.
Talk
Nazarov, R.; Hickel, T.; Neugebauer, J.: Interaction of H with vacancies in iron and steels: The combination of atomistic, thermodynamic and elastic effects. MMM 2010 Conference, Freiburg, Germany (2010)
509.
Talk
Raabe, D.; Roters, F.; Eisenlohr, P.; Fabritius, H.; Nikolov, S.; Petrov, M.; Dmitrieva, O.; Hickel, T.; Friak, M.; Ma, D. et al.; Neugebauer, J.: Combining ab-initio based multiscale models and experiments for structural alloy design. Colloquium Lecture, Australian Microscopy & Microanalysis Research Facility, The University of Sydney, Sydney, Australia (2010)
510.
Talk
Friák, M.; Hickel, T.; Ma, D.; Counts, W. A.; Dick, A.; Udyansky, A.; von Pezold, J.; Nikolov, S.; Fabritius, H. O.; Zhu, L.-F. et al.; Elstnerová, P.; Raabe, D.; Neugebauer, J.: Ab initio based multi-scale approaches to the elasticity of polycrystals. ICAMS Scientific Retreat, Akademie Biggsee, Attendorn, Germany (2010)
511.
Talk
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)
512.
Talk
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)
513.
Talk
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)
514.
Talk
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)
515.
Talk
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)
516.
Talk
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)
517.
Talk
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)
518.
Talk
Sandschneider, N.; Nolting, W.: A microscopic model of current-induced switching of magnetization. Theories of Correlated Electrons in Condensed Matter, Moscow, Russia (2010)
519.
Talk
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)
520.
Talk
Grabowski, B.; Glensk, A.: Thermodynamics - Master class. Summer School: Computational Materials Science, San Sebastian, Spain (2010)
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