Suchergebnisse

Aydin, U.; Boeck, S.; Hickel, T.; Neugebauer, J.: Hydrogen solution enthalpies derived from first principles: Chemical trends along the series of transition metals. DPG Frühjahrstagung 2011, Dresden, Germany (2011)

Freysoldt, C.; Mitra, C.; Neugebauer, J.: Quasiparticle band offsets at heterojunctions from GW superlattice calculations. DPG Frühjahrstagung 2011, Dresden, Germany (2011)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio prediction of thermodynamic data for selected phases of the Al–Mg–Si–Cu system. DPG conference, Dresden, Germany (2011)

Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Finite temperature magnetism combining first-principles and spin Quantum Monte Carlo. DPG Frühjahrstagung, 2011, Dresden, Germany (2011)

Nazarov, R.; Hickel, T.; Neugebauer, J.: Superabundant vacancies in fcc metals: A combination of ab-initio, thermodynamic and kinetics approaches. DPG 2011 Meeting, Dresden, Germany (2011)

Pfanner, G.; Freysoldt, C.; Neugebauer, J.: EPR parameters of the dangling bond defect in crystalline and amorphous silion: A DFT-study. DPG spring meeting 2011, Dresden, Germany (2011)

Todorova, M.; Valtiner, M.; Neugebauer, J.: Hydrogen adsorption on polar ZnO(0001)–Zn - Extending equilibrium surface phase diagrams to kinetically stabilised structures. DPG Frühjahrstagung 2011, Dresden, Germany (2011)

von Pezold, J.; Neugebauer, J.: Effect of H on homogeneous dislocation nucleation: Consequences for hydrogen embrittlement. DPG Frühjahrstagung der Sektion Kondensierte Materie (SKM), Dresden, Germany (2011)

Zhu, L.-F.; Friák, M.; Dick, A.; Udyansky, A.; Neugebauer, J.: First principles study of elastic properties of eutectic Ti-Fe alloys up to their mechanical stability limits. DPG Spring Meeting 2011, Dresden, Germany (2011)

Boussinot, G.; Hüter, C.; Brener, E.: Two-phase finger growth in eutectic and monotectic systems. SPP 1296 Meeting, Bayreuth, Germany (2011)

Eisenlohr, P.; Roters, F.; Kords, C.; Diehl, M.; Lebensohn, R.A.; Raabe, D.: Combining characterization and simulation of grain-scale plasticity in three dimensions. EBSD Conference 2011 of the Royal Microscopical Society, Düsseldorf, Germany (2011)

Elstnerová, P.; Friák, M.; Hickel, T.; Fabritius, H.-O.; Lymperakis, L.; Petrov, M.; Raabe, D.; Neugebauer, J.; Nikolov, S.; Ziegler, A. S. et al.; Hild, S.: Enhancing mechanical properties of calcite by Mg substitutions - An ab initio study. American Physical Society - March Meeting, Dallas, TX, USA (2011)

Erbe, A.: From electrochemistry to colloidal interfaces - optical answers to chemical questions. Seminar, Bilkent University, Department of Chemistry, Ankara, Turkey, (2011)

Erbe, A.: Optical design of interfaces for internal reflection infrared-spectroscopic experiments. Seminar, Karlsruhe Institute of Technology, Institute of Toxicology and Genetics. Karlsruhe, Germany (2011)

Fabritius, H.; Nikolov, S.; Hild, S.; Ziegler, A.; Friák, M.; Neugebauer, J.; Raabe, D.: Mechanical Design Principles of Crustacean Cuticle evaluated experimentally and by Ab initio-based Multiscale Simulations. Institute Colloquium, Institut de Mécanique des Fluides et des Solides, CNRS, Strasbourg, France (2011)

Hickel, T.; Körmann, F.; Grabowski, B.; Dick, A.; Neugebauer, J.: First principles concepts to calculate thermodynamic properties of magnetic materials. ICAMS Advanced Discussions, Bochum, Germany (2011)

Neugebauer, J.: Materials design based on ab initio thermodynamics: Development of accurate and efficient multiscale strategies. DPG-Tagung, Dresden, Germany (2011)

Palm, M.: Hochleistungswerkstoffe auf Basis intermetallischer Phasen. DGM Materialforum Rhein-Main, Hanau, Germany (2011)

Roters, F.; Eisenlohr, P.; Tjahjanto, D. D.; Kords, C.; Raabe, D.: A modular crystal plasticity framework applicable from component to single grain scale. IUTAM Symposium Linking Scales in Computations: From Microstructure to Macro-scale Properties, Pensacola, FL, USA (2011)

Tasan, C. C.; Zaefferer, S.; Raabe, D.: Deformation-induced geometrically necessary dislocation evolution in dual-phase steel. 20th EBSD Conference, Düsseldorf, Germany (2011)