Publications of T. Hickel

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)

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)

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)

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)

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)

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)

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)