Publications of T. Hickel

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)

Liot, F.; Friák, M.; Hickel, T.; Neugebauer, J.: Spin-polarization-induced structural selectivity in substituted Laves phases. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)

Nazarov, R.; Hickel, T.; Neugebauer, J.: First-principles and thermodynamic description of hydrogen interaction with vacancies in fcc iron. DPG 2010 Meeting, Regensburg, Germany (2010)

Tillack, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Ab initio studies of nano-precipitation and growth in ferritic steels. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)

von Pezold, J.; Aydin, U.; Hickel, T.; Neugebauer, J.: Strain-induced metal-hydrogen interactions across the 1st transition series: An ab initio study of hydrogen embrittlement. DPG Frühjahrstagung 2010, Regensburg, Germany (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. DPG Spring Meeting 2010, Regensburg, Germany (2010)

Dick, A.; Hickel, T.; Neugebauer, J.: Structure and Energetics of the Stacking Faults in Austenitic FeMn Alloys Studied by First Principles Calculations. APS March Meeting 2010, Portland, OR, USA (2010)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio determination of the magnetic free energy contribution of metallic systems. APS March Meeting 2010, Portland, OR, USA (2010)

Liot, F.; Friák, M.; Hickel, T.; Neugebauer, J.: Spin-polarization-induced structural selectivity in substituted Laves phases. APS March Meeting 2010, Portland, OR, USA (2010)

Nazarov, R.; Hickel, T.; Neugebauer, J.: Ab-initio and thermodynamic description of interaction of hydrogen with vacancies in fcc iron. APS 2010 Spring Meeting, Portland, OR, USA (2010)

von Pezold, J.; Aydin, U.; Hickel, T.; Neugebauer, J.: Strain-induced metal-hydrogen interactions across the 1st transition series: An ab initio study of hydrogen embrittlement. APS March Meeting 2010, Portland, OR, USA (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. March meeting of the American Physical Society (APS), Portland, OR, USA (2010)

Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Computing Ab Initio Free Energy Contributions of Point Defects. APS March Meeting 2010, Portland, OR, USA (2010)

Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Computing Ab Initio Free Energy Contributions of Point Defects. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Towards a First-Principles Understanding of the Iron Phase Diagram. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)

Abbasi, A.; Dick, A.; Hickel, T.; Neugebauer, J.: First principles calculations of the stacking fault energies for Mn and Fe. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)