Publications of T. Hickel

Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.: Chemical trends for the solution enthalpy of hydrogen in 3d transition metals. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)

Dick, A.; Hickel, T.; Neugebauer, J.: Stacking fault properties in high-Mn steels: An ab initio study. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio determination of the magnetic free energy contribution of metallic systems. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)

Liot, F.; Friák, M.; Hickel, T.; Neugebauer, J.: Spin-polarization-induced structural selectivity in substituted Laves phases. Workshop, Imst, Austria (2010)

Marquardt, O.; Hickel, T.; Neugebauer, J.: Polarization-induced charge carrier separation in realistic polar and nonpolar GaN quantum dots. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)

Tillack, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Kinetic Monte Carlo simulations and ab initio studies of nano-precipitation in ferritic steels. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)

Zhu, L.-F.; Dick, A.; Friák, M.; Hickel, T.; Neugebauer, J.: First principles study of thermodynamic, structural and elastic properties of eutectic Ti-Fe alloys. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)

Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Efficient sampling strategies of anharmonic free energies. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)

Hickel, T.; Uijttewaal, M.; Al-Zubi, A.; Neugebauer, J.: Ab initio simulation of magnetic shape memory alloys: The interplay of magnetic and vibrational degrees of freedom. Oberseminar: Ultraschnelle Dynamik in Festkörpern und an Grenzflächen, Fakultät für Physik, Universtität Duisburg-Essen, Duisburg, Germany (2010)

Hickel, T.; Neugebauer, J.: Simulation tools for ab initio steel design. CM Special Workshop on "Ab initio Description of Iron, Steel and Related Materials", MPIE, Düsseldorf, Germany (2009)

Nazarov, R.; Hickel, T.; Neugebauer, J.: Wasserstoff in X-IP Stahl (ab initio): Einfluss von Defekten auf die Energetik und Dynamik von Wasserstoff in Manganstählen. X-IP Workshop, Dortmund, Germany (2009)

Dick, A.; Hickel, T.; Neugebauer, J.: Ab Initio Interfacial Austenite/Martensite Energies for Accurate Stacking Fault Energy Calculations in High-Mn Steels. Materials Research Society 2010 Fall Meeting, Boston, MA, USA (2009)

Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Anharmonicity and vacancies in aluminum. MRS Fall Meeting, Boston, MA, USA (2009)

Marquardt, O.; Hickel, T.; Neugebauer, J.: Polarization-induced charge carrier separation in realistic polar and nonpolar grown GaN quantum dots. Collaborative Conference on Interacting Nanostructures CCIN'09, San Diego, CA, USA (2009)

Hickel, T.; Al-Zubi, A.; Neugebauer, J.: Ab initio investigation of temperature dependent effects in magnetic shape memory Heusler alloys. SPP1239 Fokustreffen A "Fundamentals", Bonn, Germany (2009)

Hickel, T.; Grabowski, B.; Neugebauer, J.: Quantum mechanically based modeling of temperature driven materials phenomena. Colloquium "Material Science on Supercomputers", MPIE, Düsseldorf, Germany (2009)

Hickel, T.; Körmann, F.; Dick, A.; Neugebauer, J.: Considerations on the magnetic contribution to the free energy of Fe and related alloys. MCA-Fe. International workshop "Modern computational approaches in iron based alloys”, Ekaterinburg, Russia (2009)

Marquardt, O.; Hickel, T.; Neugebauer, J.: Optical properties of polar and nonpolar III-nitride quantum dots. workshop "Physics of nitride-based nanostructured light-emitting devices", Bremen, Germany (2009)

Dick, A.; Hickel, T.; Neugebauer, J.: Thermodynamics of high-Mn steels from ab initio theory. Workshop of the SFB761 "Steel - ab initio", Salzgitter, Germany (2009)

Hickel, T.; Uijttewaal, M.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. 1st International Conference on Material Modeling, Dortmund, Germany (2009)