Publications

Poster (180)

1. 1521.
   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)
2. 1522.
   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)
3. 1523.
   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)
4. 1524.
   MPG.PuRe
   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)
5. 1525.
   MPG.PuRe
   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)
6. 1526.
   MPG.PuRe
   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)
7. 1527.
   MPG.PuRe
   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)
8. 1528.
   MPG.PuRe
   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)
9. 1529.
   MPG.PuRe
   Poster

   Lange, B.; Freysoldt, C.; Neugebauer, J.: Constructing optimized atomic basis-sets with PW accuracy. Summer School: Computational Materials Science, San Sebastian, Spain (2010)
10. 1530.
    MPG.PuRe
    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)
11. 1531.
    MPG.PuRe
    Poster

    von Pezold, J.; Dick, A.; Firák, M.; Neugebauer, J.: Accurate description of elastic properties of random alloys with minimum supercell sizes. Multiscale Materials Modeling, Freiburg, Germany (2010)
12. 1532.
    MPG.PuRe
    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)
13. 1533.
    MPG.PuRe
    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)
14. 1534.
    MPG.PuRe
    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)
15. 1535.
    MPG.PuRe
    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)
16. 1536.
    MPG.PuRe
    Poster

    Abu-Farsakh, H.; Neugebauer, J.: Combined ab-initio and Monte Carlo calculations to explore the surface thermodynamics and kinetics of dilute nitrides. 8th International Conference on Nitride Semiconductors (ICNS-8), Jeju Island, South Korea (2009)
17. 1537.
    MPG.PuRe
    Poster

    Lange, B.; Freysoldt, C.; Neugebauer, J.: Role of the parasitic Mg₃N₂ phase in post-groth activation of p-doped Mg:GaN. ICNS-8, Jeju Island, South Korea (2009)
18. 1538.
    MPG.PuRe
    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)
19. 1539.
    MPG.PuRe
    Poster

    Dick, A.; Yang, R.; Smith, A. R.; Neugebauer, J.: Surface magnetism at the atomic scale: An ab initio analysis of spin-polarized scanning tunneling microscopy. International workshop "Ab initio Description of Iron and Steel (ADIS2006), Ringberg Castle, Germany (2009)
20. 1540.
    MPG.PuRe
    Poster

    Friak, M.; Sander, B.; Ma, D.; Raabe, D.; Neugebauer, J.: Theory-guided design of Ti–Nb alloys for biomedical applications. 1st International Conference on Material Modelling, Dortmund, Germany (2009)