Publications of T. Hickel

Nazarov, R.; Ismer, L.; Hickel, T.; Neugebauer, J.: Hydrogen embrittlement of steels: An atomistic insight. PROST 2012 Conference, Moscow, Russia (2012)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Atomic forces at finite magnetic temperatures: Phonons in paramagnetic iron. DPG Frühjahrstagung 2012, Berlin, Germany (2012)

Palumbo, M.; Fries, S. G.; Hammerschmidt, T.; Drautz, R.; Körmann, F.; Hickel, T.; Neugebauer, J.: SAPIENS, a DFT and experimental based thermophysical database for pure elements. DPG Frühjahrstagung 2012, Berlin, Germany (2012)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Fully ab initio determination of anharmonic contributions by efficient sampling strategies. DPG Frühjahrstagung 2012, Berlin, Germany (2012)

Nazarov, R.; Hickel, T.; Neugebauer, J.: Impact of alloying elements on H solubility in steels. DPG Frühjahrstagung 2012, Berlin, Germany (2012)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Fully ab initio determination of anharmonic contributions by efficient sampling strategies. TMS 2012, Orlando, FL, USA (2012)

Grabowski, B.; Söderlind, P.; Hickel, T.; Neugebauer, J.: Ab Initio Thermodynamics of the fcc-bcc Transition in Ca Including All Relevant FiniteTemperature Excitation Mechanisms. TMS 2012, Orlando, FL, USA (2012)

Nazarov, R.; Hickel, T.; Neugebauer, J.: Accelerated self-diffusion in fcc metals due to H induced superabundant vacancies. TMS 2012 Meeting, Orlando, FL, USA (2012)

Elstnerová, P.; Friák, M.; Hickel, T.; Fabritius, H.-O.; Ma, D.; Raabe, D.; Ziegler, A. S.; Neugebauer, J.: On the Role of Mg Atoms in Calcite Crystals: An Ab Initio Study. EURO Bio-inspired Materials, International School and Conference on Biological Materials Science, Potsdam, Germany (2012)

Elstnerová, P.; Friák, M.; Hickel, T.; Fabritius, H.-O.; Raabe, D.; Ziegler, A. S.; Neugebauer, J.: On the role of Mg atoms in calcite crystals: An ab initio study. DPG Frühjahrstagung, Berlin, Germany (2012)

Hickel, T.; Dick, A.; Körmann, F.; Grabowski, B.; Neugebauer, J.: Advancing ab initio to finite temperatures for applications in materials design. DPG Frühjahrstagung 2012, Berlin, Germany (2012)

Ponge, D.; Millán, J.; Yuan, L.; Sandlöbes, S.; Kostka, A.; Choi, P.; Hickel, T.; Wittig, J.; Inden, G.; Assadi, H. et al.; Kirchheim, R.; Neugebauer, J.; Raabe, D.: Nanostructuring of 1 Mio tons: Designing ultrastrong and ductile steels. DPG meeting (Deutsche Physikalische Gesellschaft), Berlin, Germany (2012)

Ponge, D.; Millán, J.; Yuan, L.; Zaefferer, S.; Konijnenberg, P. J.; Khorashadizadeh, A.; Sandlöbes, S.; Gutiérrez-Urrutia, I.; Kostka, A.; Choi, P. et al.; Hickel, T.; Neugebauer, J.; Raabe, D.: The art of experimentation in micromechanics: Lattice defects in steels. GAMM Conference, Darmstadt, Germany (2012)

Dutta, B.; Al-Zubi, A.; Hickel, T.; Neugebauer, J.: Ab-initio study of phase transitions in Magnetic Shape Memory Alloys. SPP1239 focus meeting, IFW Dresden, Germany (2012)

Nazarov, R.; Hickel, T.; Neugebauer, J.: Influence of alloying elements on solubility and diffusivity of H in different steel phases. HYDRAMYCROS Workshop, Ghent, Belgium (2012)

Raabe, D.; Ponge, D.; Choi, P.; Zaefferer, S.; Hickel, T.; Friák, M.; Neugebauer, J.: Nanostructuring of 1 Million tons: Designing steels using quantum mechanics and atom probe tomography. Seminar Talk at University of Saarland, Saarbrücken, Germany (2012)

Aydin, U.; Hickel, T.; Neugebauer, J.: Solution enthalpy of hydrogen in 3d transition metals and neighboring elements. 1st Austrian/German Workshop on Computational Materials Design, Kramsach, Austria (2012)

Bleskov, I.; Hickel, T.; Neugebauer, J.: Ab initio investigation of the stacking fault in Fe-based alloys. 1st Austrian-German workshop on Computational Materials Design, Kramsach, Austria (2012)

Dutta, B.; Hickel, T.; Neugebauer, J.: Ab-initio calculation of phonons in disordered systems. 1st Austrian-German Workshop on Computational Materials Design, Kramsach, Austria (2012)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Atomic forces at finite magnetic temperatures: Phonons in paramagnetic iron. 1st Austrian/German Workshop on Computational Materials Design, Kramsach, Austria (2012)