Publications

Poster (179)

1. 1481.
   MPG.PuRe
   Poster

   Udyansky, A.; von Pezold, J.; Dick, A.; Neugebauer, J.: Martensite formation in dilute Fe-based solid solutions: Ab initio based multi-scale approach. Ab initio Description of Iron and Steel: Mechanical properties, 468. Wilhelm und Else Heraeus-Seminar, Ringberg, Germany (2010)
2. 1482.
   MPG.PuRe
   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.: Quantum-mechanics-based study of multi-scale elastic properties of hierarchical biocomposites. Prospects of bionics for functional Materials Science, Montan University Leoben, Leoben, Austria (2010)
3. 1483.
   MPG.PuRe
   Poster

   von Pezold, J.; Dick, A.; Firák, M.; Neugebauer, J.: Accurate description of elastic properties of random alloys with minimum supercell sizes. Psi-k 2010 Conference, Berlin, Germany (2010)
4. 1484.
   MPG.PuRe
   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)
5. 1485.
   MPG.PuRe
   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)
6. 1486.
   MPG.PuRe
   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)
7. 1487.
   MPG.PuRe
   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. 1488.
   MPG.PuRe
   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)
9. 1489.
   MPG.PuRe
   Poster

   Lange, B.; Freysoldt, C.; Neugebauer, J.: Constructing optimized atomic basis-sets with PW accuracy. Psi-k Conference 2010, Berlin, Germany (2010)
10. 1490.
    MPG.PuRe
    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)
11. 1491.
    MPG.PuRe
    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)
12. 1492.
    MPG.PuRe
    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)
13. 1493.
    MPG.PuRe
    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)
14. 1494.
    MPG.PuRe
    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)
15. 1495.
    MPG.PuRe
    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)
16. 1496.
    MPG.PuRe
    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)
17. 1497.
    MPG.PuRe
    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)
18. 1498.
    MPG.PuRe
    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)
19. 1499.
    MPG.PuRe
    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)
20. 1500.
    MPG.PuRe
    Poster

    Liot, F.; Hooley, C.: Thermal expansion anomaly in iron-based ferromagnets: The relation to magnetism. APS March Meeting 2010, Portland, OR, USA (2010)