Talk (1232)

1421.
Talk
Dick, A.: Towards an ab initio based understanding of deformation mechanisms in high-manganese steels. International scientific seminar “Ab initio Description of Iron and Steel: Mechanical properties”, Ringberg, Germany (2010)
1422.
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)
1423.
Talk
Friák, M.; Counts, W. A.; Raabe, D.; Neugebauer, J.: Identification of fundamental materials‐design limits in ultra lightweight Mg–Li alloys via quantum-mechanical calculations. Multiscale Materials Modeling, Freiburg, Germany (2010)
1424.
Talk
Friák, M.; Petrov, M.; Nikolov, S.; Sachs, C.; Fabritius, H. O.; Elstnerová, P.; Ma, D.; Lymperakis, L.; Raabe, D.; Hild, S. et al.; Zigler, A.; Neugebauer, J.: Arthropod cuticle: A biological multi-functional composite used as template for nano-to-macro-scale hierarchical modeling. Multiscale Materials Modeling, Freiburg, Germany (2010)
1425.
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)
1426.
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)
1427.
Talk
Fabritius, H.; Nikolov, S.; Hild, S.; Ziegler, A.; Friák, M.; Neugebauer, J.; Raabe, D.: Design principles of Arthropod cuticle evaluated experimentally and by ab initio-basedmultiscale simulations. Ringberg Symposium 2010, Molecular Bionics - From Biomineralization to Functional Materials, Ringberg Castle, Rottach-Egern, Germany (2010)
1428.
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)
1429.
Talk
Todorova, M.: Corrosion from first principles: A new approach to construct electrochemical E-pH diagrams. Kristallographisches Kolloquium at Fakultät Geowissenschaften, LMU München, München, Germany (2010)
1430.
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)
1431.
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)
1432.
Talk
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)
1433.
Talk
Lymperakis, L.; Neugebauer, J.: Ab initio Based Growth Simulations of III-Nitride Nanowires. International Workshop on Nitride Semiconductors, Tampa, Florida, USA (2010)
1434.
Talk
Freysoldt, C.: Fully ab initio finite-size corrections for electrostatic artifacts in charged-defect supercell calculations. Psi-k Conference 2010, Berlin, Germany (2010)
1435.
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)
1436.
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)
1437.
Talk
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)
1438.
Talk
Neugebauer, J.: Materials design based on ab initio thermodynamics: Development of accurate and efficient multiscale strategies. Psi-k Conference 2010, Berlin, Germany (2010)
1439.
Talk
Neugebauer, J.: Stahldesign in der Wunderwelt der Quantenmechanik. Tag der offenen Tür, Stahlzentrum Düsseldorf, Düsseldorf, Germany (2010)
1440.
Talk
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)
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