Publications of T. Hickel

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)

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)

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)

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)

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)

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)

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)

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)

Hickel, T.; Grabowski, B.; Körmann, F.; Dick, A.; Neugebauer, J.: Using ab initio methods to predict thermodynamic properties of metals. Summer School: Computational Materials Science, San Sebastian, Spain (2010)

Hickel, T.; Dick, A.; Körmann, F.; Neugebauer, J.: Ab initio Bestimmung thermodynamischer Eigenschaften des Legierungssystems Fe-Mn-C. Sitzung FA Computersimulation der DGM, Aachen, Germany (2010)

Marquardt, O.; Gambaryan, K. M.; Aroutiounian, V. M.; Hickel, T.; Neugebauer, J.: Growth process, characterization and optoelectronic properties of InAsSbP dot-pit cooperative nanostructures. VCIAN 2010, Santorini, Greece (2010)

Hickel, T.; Uijttewaal, M.; Al-Zubi, A.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. PTM 2010, Avignon, France (2010)

Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio concepts for an efficient and accurate determination of thermodynamic properties up to the melting point. Calphad XXXIX, Jeju Island, South Korea (2010)

Hickel, T.; Al-Zubi, A.; Grabowski, B.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. Calphad XXXIX, Jeju Island, South Korea (2010)

Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: First principles concepts to determine the heat capacity of Fe-based alloys. Calphad XXXIX, Jeju Island, South Korea (2010)

Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.: Chemical trends of the solution enthalpy of hydrogen in 3d transition metals in dilute limit, derived from first principles. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)

Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Computing Ab Initio Free Energy Contributions of Point Defects. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)

Hickel, T.: Computational Phase Studies: Deriving thermodynamic properties of metals from first principles. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio determination of the magnetic free energy contribution of metallic systems. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)