Publications

Publications

Talk (40)

  1. 41.
    Talk
    Marquardt, O.; Hickel, T.; Neugebauer, J.: Investigation of group III-nitride semiconductor nanostructures using an eight-band k.p formalism. APS March meeting, Pittsburgh, PA, USA (2009)
  2. 42.
    Talk
    Todorova, M.; Ismer, L.; Neugebauer, J.: Role of anharmonic contributions for the elasticity of ice. March meeting of the American Physical Society (APS), Pittsburg, USA (2009)
  3. 43.
    Talk
    Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Anharmonicity and vacancies in aluminum. APS March Meeting, Pittsburgh, PA, USA (2009)
  4. 44.
    Talk
    Hickel, T.; Uijttewaal, M.; Neugebauer, J.: Ab initio investigation of temperature dependent effects in magnetic shape memory Heusler alloys. SPP 1239 Convention, Duisburg, Germany (2009)
  5. 45.
    Talk
    Hickel, T.; Dick, A.; Körmann, F.; Grabowski, B.; Neugebauer, J.: Ab initio steel design: Achievements and challenges. Scientific Advisory Board Meeting 2009, MPI für Eisenforschung GmbH, Düsseldorf, Düsseldorf, Germany (2009)
  6. 46.
    Talk
    Hickel, T.: First principles determination of thermodynamic properties in metals. ICAMS Monday Seminar, ICAMS Bochum, Germany (2009)
  7. 47.
    Talk
    Hickel, T.: Computational Phase Studies: Deriving free energies and phase transitions from first principles. MRS 2009 Fall Meeting, Boston, MA, USA (2009)

Poster (13)

  1. 48.
    Poster
    Dick, A.; Neugebauer, J.: Surface magnetism at Mn3N2 (010) surfaces at the atomic scale: First-principles description of the spin-polarized scanning tunneling microscopy experiments. 448. WE-Heraeus-Seminar "Excitement in magnetism", Ringberg Castle, Tegernsee, Germany (2009)
  2. 49.
    Poster
    Friák, M.; Sob, M.; Kim, O.; Ismer, L.; Neugebauer, J.: First principles study of the alpha-iron stability limits. 448. Wilhelm und Else Heraeus-Seminar "Excitement in magnetism: Spin-dependent scattering and coupling of excitations in ferromagnets", Tegernsee, Ringberg, Germany (2009)
  3. 50.
    Poster
    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)
  4. 51.
    Poster
    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)
  5. 52.
    Poster
    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)
  6. 53.
    Poster
    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)
  7. 54.
    Poster
    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)
  8. 55.
    Poster
    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)
  9. 56.
    Poster
    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)
  10. 57.
    Poster
    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)
  11. 58.
    Poster
    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)
  12. 59.
    Poster
    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)
  13. 60.
    Poster
    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)
 
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