Publications of T. Hickel

Nazarov, R.; Hickel, T.; Neugebauer, J.: H adsorption and absorption on/in carbides. HYDRAMICROS Workshop, Duisburg, Germany (2012)

Raabe, D.; Ponge, D.; Choi, P.; Millán, J.; Sandlöbes, S.; Yuan, L.; Tasan, C. C.; Plancher, E.; Zaefferer, S.; Hickel, T. et al.; Friak, M.; Dick, A.; Inden, G.; Neugebauer, J.: Designing nanostructured metallic bulk alloys via first principles simulations and atomic scale characterization: The basis of modern manufacturing. NIMS Conference 2012, Tsukuba, Japan (2012)

Dick, A.; Körmann, F.; Hickel, T.; Neugebauer, J.: Thermodynamic properties of cementite including magnetic, vibronic, and electronic excitations from ab initio. TMS Annual meeting 2012, Orlando, FL, USA (2012)

Hickel, T.: Advancing ab initio methods to finite temperatures: The opening of new routes in materials design. Physikalisches Kolloquium der Ruhr-Universität Bochum, Bochum, Germany (2012)

Hickel, T.; Sandschneider, N.; Friák, M.; Neugebauer, J.; Ouyang, Y.: Ab initio determination of point defects and derived diffusion properties in metals. TMS Annual meeting 2012, Orlando, FL, USA (2012)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The influence of magnetic excitations on the phase stability of metals and steels. Seminar talk at Forschungszentrum Jülich, Jülich, Germany (2012)

Ponge, D.; Millán, J.; Yuan, L.; Sandlöbes, S.; Kostka, A.; Choi, P.; Zaefferer, S.; Hickel, T.; Inden, G.; Assadi, H. et al.; Kirchheim, H.; Neugebauer, J.; Raabe, D.: Microstructure hierarchy and nanoscale transformations in steels. Workshop on ‘Mathematical challenges of materials science and condensed matter physics: From quantum mechanics through statistical mechanics to nonlinear pde’, Hausdorff Research Institute for Mathematics, Bonn, Germany (2012)

Raabe, D.; Ponge, D.; Choi, P.; Millán, J.; Millán, J.; Sandlöbes, S.; Hickel, T.; Neugebauer, J.: Nanoscale austenite reversion in martensitic and maraging-TRIP steels. 3rd International Symposium on Steel Science, Kyoto, Japan (2012)

Liot, F.; Friák, M.; Hickel, T.; Neugebauer, J.: The influence of ternary additions in the Fe₂Nb C14 Laves phase. ICAMS Advanced Discussions, Bochum, Germany (2012)

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)