Publications

Poster (180)

1. 1481.
   MPG.PuRe
   Poster

   Nematollahi, A.; von Pezold, J.; Neugebauer, J.; Raabe, D.: Thermodynamic and kinetic effects of elastic strain on the decomposition of cementite in wire-draw pearlitic steel. International scientific seminar: Ab-initio description of iron and steel thermodynamics and kinetics, Ringberg Castle, Tegernsee, Germany (2012)
2. 1482.
   MPG.PuRe
   Poster

   Tillack, N.; Yates, J. R.; Roberts, S. G.; Hickel, T.; Drautz, R.; Neugebauer, J.: First-Principles Investigations of ODS Steels. Ab initio Description of Iron and Steel: Thermodynamics and Kinetics, Tegernsee, Germany (2012)
3. 1483.
   MPG.PuRe
   Poster

   Opahle, I.; Madsen, G.; Glensk, A.; Hickel, T.; Drautz, R.; Neugebauer, J.: Thermoelectric Properties and Thermal Stability of Silicides. ICAMS Advisory Board Meeting, Bochum, Germany (2011)
4. 1484.
   MPG.PuRe
   Poster

   Duff, A.; Lymperakis, L.; Neugebauer, J.: Ab-initio based comparitive study of In incorporation and surface segregation on III- and N-face {0001} InGaN surfaces. SINOPLE mid-term meeting, Berlin, Germany (2011)
5. 1485.
   MPG.PuRe
   Poster

   Izanlou, A.; Todorova, M.; Friák, M.; Palm, M.; Neugebauer, J.: Theoretical study of the environmental effect of H-containing gases on Fe–Al surfaces. International Meeting on Iron Aluminide Alloys, Lanzarote, Canary Island, Spain (2011)
6. 1486.
   MPG.PuRe
   Poster

   Pfanner, G.; Freysoldt, C.; Neugebauer, J.; Gerstmann, U.: Ab initio EPR parameters for dangling-bond defect complexes in crystalle silion: The role of the Jahn-Teller distortion. Workshop on Advanced EPR for material and solar energy research, Berlin, Germany (2011)
7. 1487.
   MPG.PuRe
   Poster

   Pfanner, G.; Freysoldt, C.; Neugebauer, J.: EPR parameters of the dangling bond defect in crystalline and amorphous silicon: A DFT-study. Euromat 2011, Montpellier, France (2011)
8. 1488.
   MPG.PuRe
   Poster

   Pfanner, G.; Freysoldt, C.; Neugebauer, J.: EPR parameters of the dangling bond defect in crystalline and amorphous silicon: A DFT-study. MultiScale Modelling of Amorphous Materials: From Structure to Mechanical Properties, Dublin, Ireland (2011)
9. 1489.
   MPG.PuRe
   Poster

   Tillack, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Ab initio study of nano-precipitate nucleation and growth in ferritic steels. Psi-k/CECAM/CCP9 Biennial Graduate School in Electronic-Structure Methods, Oxford, UK (2011)
10. 1490.
    MPG.PuRe
    Poster

    Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Integrating finite temperature magnetism into ab initio free energy calculations. Calphad XL, Rio de Janeiro, Brazil (2011)
11. 1491.
    MPG.PuRe
    Poster

    Elstnerová, P.; Friák, M.; Neugebauer, J.: Enhancing mechanical properties of calcite by Mg substitutions - A quantum-mechanical Study. 75. Annual Meeting of the DPG, Dresden, Germany (2011)
12. 1492.
    MPG.PuRe
    Poster

    Korbmacher, D.; Hüter, C.; von Pezold, J.; Spatschek, R.; Neugebauer, J.: Continuum modeling of hydrogen embrittlement. Gordon conference "Physical Metallurgy", Easton, MA, USA (2011)
13. 1493.
    MPG.PuRe
    Poster

    Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Integrating finite temperature magnetism into ab initio free energy calculations. TMS 2011 Annual Meeting, San Diego, CA, USA (2011)
14. 1494.
    MPG.PuRe
    Poster

    Todorova, M.; Valtiner, M.; Neugebauer, J.: Stabilisation of polar ZnO(0001) surfaces in dry and humid environment. FIESTAE - Frontiers in Interface Science: Theory and Experiment, Berlin, Germany (2011)
15. 1495.
    MPG.PuRe
    Poster

    Tillack, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Ab initio study of nano-precipitate nucleation and growth in ferritic steels. Materials Discovery by Scale-Bridging High-Throughput Experimentation and Modelling, Ruhr-Universität Bochum, Bochum, Germany (2010)
16. 1496.
    MPG.PuRe
    Poster

    Aydin, U.; Hickel, T.; Neugebauer, J.: High-Throughput Computation: The solution enthalpy of hydrogen in 3d metals derived from first principles. International workshop on Materials Discovery by Scale-Bridging High-Throughput, Bochum, Germany (2010)
17. 1497.
    MPG.PuRe
    Poster

    Elstnerová, P.; Friák, M.; Neugebauer, J.: Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite. 4. Wiener Biomaterialsymposium, Vienna, Austria (2010)
18. 1498.
    MPG.PuRe
    Poster

    Tillack, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Ab initio and kinetic Monte-Carlo study of nano-precipitate nucleation and growth in ferritic steels. Materials Discovery by Scale-Bridging High-Throughput Experimentation and Modelling, Bochum, Germany (2010)
19. 1499.
    MPG.PuRe
    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)
20. 1500.
    MPG.PuRe
    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)