Veröffentlichungen

Poster (184)

1. 1521.
   MPG.PuRe
   Poster

   Aydin, U.; Hickel, T.; Neugebauer, J.: Combining ab initio with data mining techniques: Solution enthalpy of hydrogen in transition metals. ADIS Conference 2012, Ringberg, Germany (2012)
2. 1522.
   MPG.PuRe
   Poster

   Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Atomic forces at finite magnetic temperatures: Phonons in paramagnetic iron. ADIS Conference 2012, Ringberg, Germany (2012)
3. 1523.
   MPG.PuRe
   Poster

   Aydin, U.; Hickel, T.; Neugebauer, J.: Combining ab initio with data mining techniques: Solution enthalpy of hydrogen in transition metals. DPG Frühjahrstagung 2012, Berlin, Germany (2012)
4. 1524.
   MPG.PuRe
   Poster

   Bauer, K. D.; Todorova, M.; Hingerl, K.; Neugebauer, J.: Ab-initio Study on Liquid Metal Embrittlement in the Fe/Zn System. International Workshop on Ab initio Description of Iron and Steel (ADIS2012), Ringberg, Germany (2012)
5. 1525.
   MPG.PuRe
   Poster

   Bleskov, I.; Abbasi, A.; Dick, A.; Hickel, T.; Neugebauer, J.: Ab initio investigation of the stacking fault in Fe-based alloys. ADIS 2012: Ab initio Description of Iron and Steel, Ringberg, Germany (2012)
6. 1526.
   MPG.PuRe
   Poster

   Dutta, B.; Ghosh, S.: First-principles based modeling of lattice dynamics in disordered alloys. International Workshop on Ab initio Description of Iron and Steel (ADIS2012), Ringberg, Germany (2012)
7. 1527.
   MPG.PuRe
   Poster

   Dutta, B.; Hickel, T.; Al-Zubi, A.; Neugebauer, J.: Prediction of chemical trends in the phase diagrams of magnetic shape memory alloys from first-principles calculations. International Workshop on Ab initio Description of Iron and Steel (ADIS2012), Ringberg, Germany (2012)
8. 1528.
   MPG.PuRe
   Poster

   Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: New insights into anharmonicity. ADIS 2012: Ab initio Description of Iron and Steel, Ringberg, Germany (2012)
9. 1529.
   MPG.PuRe
   Poster

   Haghighat, S. M. H.; von Pezold, J.; Neugebauer, J.; Raabe, D.: Competitive glide of edge and screw dislocation in bcc-Fe. 1st Austrian-German Workshop on Computational Materials Design, Kramsach, Austria (2012)
10. 1530.
    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)
11. 1531.
    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)
12. 1532.
    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)
13. 1533.
    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)
14. 1534.
    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)
15. 1535.
    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)
16. 1536.
    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)
17. 1537.
    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)
18. 1538.
    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)
19. 1539.
    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)
20. 1540.
    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)