Publications of T. Hickel

Elstnerova, P.; Friák, M.; Hickel, T.; Fabritius, H.; Raabe, D.; Ziegler, A.; Hild, S.; Neugebauer, J.: Enhancing mechanical properties of calcite by Mg substitutions: An ab initio study. Psi-k Conference 2010, Berlin, Germany (2010)

Hickel, T.; Körmann, F.; Dick, A.; Neugebauer, J.: Fully ab initio based determination of magnetic contributions to the free energy of metals. Psi-k Conference 2010, Berlin, Germany (2010)

Nazarov, R.; Hickel, T.; Neugebauer, J.: Superabundant vacancies in fcc Fe: A combination of ab-initio, thermodynamic and kinetic approaches. Psi-k Conference 2010, Berlin, Germany (2010)

Liot, F.; Friák, M.; Hickel, T.; Neugebauer, J.: Ab initio study of thermodynamic, structural and elastic properties of Al-/Si-substituted Laves phase Fe₂Nb. Materials Science and Engineering 2010, Darmstadt, Germany (2010)

Dick, A.; Hickel, T.; Neugebauer, J.: Structure and Energetics of the Stacking Faults in Austenitic FeMn Alloys Studied by First Principles Calculations. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)

Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.: Chemical trends of the solution enthalpy of dilute hydrogen in 3d transition metals, derived from first principles. Summer School: Computational Materials Science, San Sebastian, Spain (2010)

Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio concepts for an efficient and accurate determination of thermodynamic properties up to the melting point. Summer School: Computational Materials Science, San Sebastian, Spain (2010)

Hamidi Siboni, N.; Hickel, T.; Friák, M.; Raabe, D.; Neugebauer, J.: Effect of interstitials on vacancy formation and mobility in metals. Summer School: Computational Materials Science, San Sebastian, Spain (2010)

Tillack, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Combined ab initio studies and kinetic Monte Carlo simulations of nano-precipitation in ferritic steels. Summer School: Computational Materials Science, San Sebastian, Spain (2010)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Magnetic contributions to the Thermodynamics of iron and Cementite. 448. WE-Heraeus-Seminar "Excitement in magnetism", Ringberg Castle, Tegernsee, Germany (2009)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Magnetic contributions to the free energy of iron. ICAMS Scientific and Industrial Advisory Board Meeting, Bochum, Germany (2009)

Tillak, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Ab initio study of nano-precipitate nucleation and growth in ferritic steels. Ab Initio Description of Iron and Steel, Tegernsee, Germany (2009)

Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Anharmonicity and vacancies in aluminum. International Workshop on Multiscale Materials Modelling (IWoM3), Berlin, Germany (2009)

Hickel, T.; Uijttewaal, M.; Grabowski, B.; Lencer, D.; Neugebauer, J.: First principles determination of structural phase transitions in smart materials. International Workshop on Multiscale Materials Modelling (IWoM3), Berlin, Germany (2009)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The free energy of iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. International Workshop on Multiscale Materials Modelling (IWoM3), Berlin, Germany (2009)

Lencer, D.; Salinga, M.; Grabowski, B.; Hickel, T.; Neugebauer, J.; Wuttig, M.: A Treasure Map for Phase-Change Materials. DPG Spring Meeting 2009, Dresden, Germany (2009)

Dick, A.; Hickel, T.; Neugebauer, J.: Stacking fault energies in FeMn-alloys studied with first-principles theory. Scientific Advisory Board Meeting 2009, MPIE, Düsseldorf, Germany (2009)

Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio finite temperature materials properties: Novel methods for critical free energy contributions. Scientific Advisory Board Meeting 2009, MPIE, Düsseldorf, Germany (2009)

Ismer, L.; Aydin, U.; Hickel, T.; Neugebauer, J.: Towards an ab-initio based understanding of H-embrittlement in austenitic steels. Scientific Advisory Board Meeting 2009, MPIE, Düsseldorf, Germany (2009)

Nazarov, R.; Hickel, T.; Neugebauer, J.: First Principle Study on the Thermodynamics of Hydrogen in Iron and Steels. MRS Fall Meeting 2009 , Boston, MA, USA (2009)