Veröffentlichungen

Veröffentlichungen

Poster (179)

  1. 1501.
    Poster
    Friák, M.; Petrov, M.; Nikolov, S.; Sachs, C.; Fabritius, H. O.; Elstnerová, P.; Ma, D.; Lymperakis, L.; Raabe, D.; Hild, S. et al.; Zigler, A.; Neugebauer, J.: Ab initio based study of multi-scale elastic properties of hierarchical biocomposites. Psi_k Conference 2010, Berlin, Germany (2010)
  2. 1502.
    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)
  3. 1503.
    Poster
    Kalesaki, E.; Lymperakis, L.; Kioseoglou, J.; Komninou, P.; Karakostas, T.: Surface Thermodynamics of (11-22) and (11-2-2) Semipolar AlN Surfaces. International Workshop on Nitride Semiconductors, Tampa, FL, USA (2010)
  4. 1504.
    Poster
    Lange, B.; Freysoldt, C.; Neugebauer, J.: Constructing optimized atomic basis-sets with PW accuracy. Psi-k Conference 2010, Berlin, Germany (2010)
  5. 1505.
    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)
  6. 1506.
    Poster
    Pfanner, G.; Freysoldt, C.; Neugebauer, J.: EPR hyperfine tensors of the dangling bond defect in crystalline and amorphous silicon. Psi-k Conference 2010, Berlin, Germany (2010)
  7. 1507.
    Poster
    Udyansky, A.; von Pezold, J.; Dick, A.; Neugebauer, J.: Order/disorder transition of defects in ferrite: Ab initio based multi-scale approach. Psi-k 2010 Conference, Ab initio calculations of processes in materials and (bio)molecules, Berlin, Germany (2010)
  8. 1508.
    Poster
    Zhu, L.-F.; Friák, M.; Schlieter, A.; Kühn, U.; Eckert, J.; Emmerich, H.; Neugebauer, J.: First principles study of thermodynamic, structural and elastic properties of eutectic Ti–Fe alloys. Psik-2010 Conference, Berlin, Germany (2010)
  9. 1509.
    Poster
    Friák, M.; Counts, W. A.; Raabe, D.; Neugebauer, J.: Identification of fundamental materials-design limits in ultra light-weight Mg–Li alloys via quantum-mechanical calculations. Materials Science and Engineering 2010, Darmstadt, Germany (2010)
  10. 1510.
    Poster
    Friák, M.; Deges, J.; Stein, F.; Palm, M.; Frommeyer, G.; Neugebauer, J.: Ab inito study on elastic properties of Fe3Al-based alloys. Materials Science and Engineering 2010, Darmstadt, Germany (2010)
  11. 1511.
    Poster
    Friák, M.; Petrov, M.; Nikolov, S.; Sachs, C.; Fabritius, H.; Elstnerova, P.; Ma, D.; Lymperakis, L.; Raabe, D.; Hild, S. et al.; Zigler, A.; Neugebauer, J.: Arthropod cuticle: A biological multi-functional composite used as template for nano-to-macro-scale hierarchical modeling. Materials Science and Engineering 2010, Darmstadt, Germany (2010)
  12. 1512.
    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)
  13. 1513.
    Poster
    von Pezold, J.; Dick, A.; Friák, M.; Neugebauer, J.: Accurate description of elastic properties of random alloys with minimum supercell sizes. Materials Science and Engineering 2010, Darmstadt, Germany (2010)
  14. 1514.
    Poster
    Todorova, M.; Valtiner, M.; Grundmeier, G.; Neugebauer, J.: Temperature Stabilised surface reconstructions at polar ZnO(0001). Gordon Research Seminar ''Corrosion - Aqueous'', Colby-Sawyer College, New London, NH, USA (2010)
  15. 1515.
    Poster
    Liot, F.; Hooley, C.: Thermal expansion anomaly in iron-based ferromagnets: The relation to magnetism. APS March Meeting 2010, Portland, OR, USA (2010)
  16. 1516.
    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)
  17. 1517.
    Poster
    von Pezold, J.; Dick, A.; Friák, M.; Neugebauer, J.: Accurate description of elastic properties of random alloys with minimum supercell sizes. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
  18. 1518.
    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)
  19. 1519.
    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)
  20. 1520.
    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)
 
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