Publications of T. Hickel

Hickel, T.; Grabowski, B.; Körmann, F.; Dick, A.; Neugebauer, J.: Computational Phase Studies: Deriving free energies and phase transitions from first principles. CECAM workshop 442: Materials Informatics: Tools for Design and Discovery, Lausanne, Switzerland (2011)

Dick, A.; Körmann, F.; Abbasi, A.; Hickel, T.; Neugebauer, J.: Towards an ab initio based understanding of deformation mechanisms in high-manganese Steels. 1st Int. Conf. on High Manganese Steels, Seoul, South Korea (2011)

Nazarov, R.; Hamidi Siboni, N.; Hickel, T.; Neugebauer, J.: Thermodynamics and Kinetics of Superabundant Vacancies in fcc Metals. MRS 2011 Spring Meeting, San Francisco, CA, USA (2011)

Neugebauer, J.; Nazarov, R.; Grabowski, B.; Körmann, F.; von Pezold, J.; Hickel, T.: Fully Ab Initio Description of Point Defect Formation and Properties at Extreme Temperatures. MRS 2011 Spring Meeting, San Francisco, CA, USA (2011)

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)

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)

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)

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)

Hickel, T.; Al-Zubi, A.; Neugebauer, J.: Chemical Trends for Phase Transitions in Magnetic Shape Memory Alloys Derived from First Principles. TMS2011, San Diego, CA, USA (2011)

Hickel, T.; Nazarov, R.; Sandschneider, N.; Neugebauer, J.: Ab Initio Determination of Point Defect Kinetics in Fe-Based Alloys. TMS 2011 Meeting, San Diego, CA, USA (2011)

von Pezold, J.; Udyansky, A.; Aydin, U.; Hickel, T.; Neugebauer, J.: Strain-Induced Metal-Hydrogen Interactions across the First Transition Series – An Ab Initio Study of Hydrogen Embrittlement. TMS 2011 Meeting, San Diego, CA, USA (2011)

Nazarov, R.; Hickel, T.; Neugebauer, J.: First results of modeling and literature overview. HYDRAMICROS Workshop, Linz, Austria (2011)

Elstnerová, P.; Friák, M.; Hickel, T.; Fabritius, H.-O.; Raabe, D.; Neugebauer, J.: Enhancing mechanical properties of calcite by Mg substitutions: A quantum-mechanical study. DPG Frühjahrstagung, Dresden, Germany (2011)

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)

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)

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)

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)

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)