Publications

Publications

Poster (85)

  1. 561.
    Poster
    Aydin, U.; Hickel, T.; Neugebauer, J.: The solution enthalpy of hydrogen derived from first principles along the series of 3d metals. Ab initio description of Iron and Steel: Mechanical Properties, 468. Wilhelm und Else Heraeus-Seminar, Ringberg, Germany (2010)
  2. 562.
    Poster
    Nazarov, R.; Hickel, T.; Neugebauer, J.: Superabundant vacancies in fcc Fe: A combination of ab-initio, thermodynamic and kinetic approaches. ADIS 2010 Meeting, Ringberg, Germany (2010)
  3. 563.
    Poster
    Sandschneider, N.; Hickel, T.; Neugebauer, N.: Defects and diffusion mechanisms in FeAl. Ab initio Description of Iron and Steel: Mechanical properties, 468. Wilhelm und Else Heraeus-Seminar, Ringberg, Germany (2010)
  4. 564.
    Poster
    Tillack, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Kinetic Monte Carlo and ab initio study of nano-precipitates and growth in ferritic steels. Ab Initio Description of Iron and Steel: Mechanical Properties, Tegernsee, Germany (2010)
  5. 565.
    Poster
    Abbasi, A.; Dick, A.; Hickel, T.; Neugebauer, J.: The influence of interstitial carbon on the stacking fault energy of Fe based materials. Psi-k Conference 2010, Berlin, Germany (2010)
  6. 566.
    Poster
    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)
  7. 567.
    Poster
    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)
  8. 568.
    Poster
    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)
  9. 569.
    Poster
    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)
  10. 570.
    Poster
    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)
  11. 571.
    Poster
    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)
  12. 572.
    Poster
    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)
  13. 573.
    Poster
    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)
  14. 574.
    Poster
    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)
  15. 575.
    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)
  16. 576.
    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)
  17. 577.
    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)
  18. 578.
    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)
  19. 579.
    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)
  20. 580.
    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)
 
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