Publications

Poster (179)

1. 1521.
   MPG.PuRe
   Poster

   Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Anharmonicity and vacancies in aluminum. International Workshop on Multiscale Materials Modelling (IWoM3), Berlin, Germany (2009)
2. 1522.
   MPG.PuRe
   Poster

   Hickel, T.; Uijttewaal, M.; Grabowski, B.; Lencer, D.; Neugebauer, J.: First principles determination of structural phase transitions in smart materials. International Workshop on Multiscale Materials Modelling (IWoM3), Berlin, Germany (2009)
3. 1523.
   MPG.PuRe
   Poster

   Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The free energy of iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. International Workshop on Multiscale Materials Modelling (IWoM3), Berlin, Germany (2009)
4. 1524.
   MPG.PuRe
   Poster

   Lencer, D.; Salinga, M.; Grabowski, B.; Hickel, T.; Neugebauer, J.; Wuttig, M.: A Treasure Map for Phase-Change Materials. DPG Spring Meeting 2009, Dresden, Germany (2009)
5. 1525.
   MPG.PuRe
   Poster

   Udyansky, A.; von Pezold, J.; Friák, M.; Neugebauer, J.: Atomistic modeling of the strain-induced interactions between C atoms in Fe–C solid solutions. International Workshop on Multiscale Materials Modelling (IWoM3), Berlin, Germany (2009)
6. 1526.
   MPG.PuRe
   Poster

   von Pezold, J.; Lymperakis, L.; Neugebauer, J.: A multiscale study of the Hydrogen enhanced local plasticity (HELP) mechanism. IWoM3 2009 - International Workshop on Multiscale Materials Modeling, Berlin, Germany (2009)
7. 1527.
   MPG.PuRe
   Poster

   Abu-Farsakh, H.; Lymperakis, L.; Neugebauer, J.: Adatom kinetics on and in III-V semiconductor surfaces. Scientific Advisory Board Meeting 2009, MPIE, Düsseldorf, Germany (2009)
8. 1528.
   MPG.PuRe
   Poster

   Dick, A.; Hickel, T.; Neugebauer, J.: Stacking fault energies in FeMn-alloys studied with first-principles theory. Scientific Advisory Board Meeting 2009, MPIE, Düsseldorf, Germany (2009)
9. 1529.
   MPG.PuRe
   Poster

   Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio finite temperature materials properties: Novel methods for critical free energy contributions. Scientific Advisory Board Meeting 2009, MPIE, Düsseldorf, Germany (2009)
10. 1530.
    MPG.PuRe
    Poster

    Ismer, L.; Aydin, U.; Hickel, T.; Neugebauer, J.: Towards an ab-initio based understanding of H-embrittlement in austenitic steels. Scientific Advisory Board Meeting 2009, MPIE, Düsseldorf, Germany (2009)
11. 1531.
    MPG.PuRe
    Poster

    Nazarov, R.; Hickel, T.; Neugebauer, J.: First Principle Study on the Thermodynamics of Hydrogen in Iron and Steels. MRS Fall Meeting 2009 , Boston, MA, USA (2009)
12. 1532.
    MPG.PuRe
    Poster

    Nikolov, S.; Sachs, C.; Fabritius, H.; Raabe, D.; Petrov, M.; Friák, M.; Neugebauer, J.; Lymperakis, L.; Ma, D.: Hierarchical modeling of the mechanical properties of lobster cuticle from nano‐ up to macroscale: The influence of the mineral content and the microstructure. 4th International Conference on Multiscale Materials Modeling, Tallahassee, FL, USA (2008)
13. 1533.
    MPG.PuRe
    Poster

    Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Importance of magnetism for the thermodynamics of bcc iron: An ab initio study. Summer School 'Nanomagnetism and Spintronics', Prague, Czech Republic (2008)
14. 1534.
    MPG.PuRe
    Poster

    von Pezold, J.; Neugebauer, J.: A multiscale approach to hydrogen embrittlement. Recent developments in interatomic potentials, Oxford, UK (2008)
15. 1535.
    MPG.PuRe
    Poster

    Dick, A.; Hickel, T.; Neugebauer, J.: First principles calculation of stacking fault energies of FeMn-alloys. International Workshop on Ab initio Description of Iron and Steel (ADIS2008), Ringberg Castle, Germany (2008)
16. 1536.
    MPG.PuRe
    Poster

    Friák, M.; Sob, M.; Kim, O.; Ismer, L.; Neugebauer, J.: First principles study of the alpha-iron stability limits. Ab initio Description of Iron and Steel: Magnetism and Phase diagrams (ADIS 2008), Ringberg Castle, Tegernsee, Germany (2008)
17. 1537.
    MPG.PuRe
    Poster

    Todorova, M.; Neugebauer, J.: Towards an ab initio description of corrosion. International Workshop on Ab initio Description of Iron and Steel (ADIS2008), Ringberg Castle, Germany (2008)
18. 1538.
    MPG.PuRe
    Poster

    Udyansky, A.; Friák, M.; Grabowski, B.; Hickel, T.; Neugebauer, J.: First Principles Study of Fe–C interstitial solid solutions. International Workshop on Ab initio Description of Iron and Steel (ADIS2008), Ringberg Castle, Germany (2008)
19. 1539.
    MPG.PuRe
    Poster

    Uijttewaal, M.; Hickel, T.; Neugebauer, J.: Phase transformations of Ni2MnGa shape memory alloy from first principles. International Workshop on Ab initio Description of Iron and Steel (ADIS2008), Ringberg Castle, Germany (2008)
20. 1540.
    MPG.PuRe
    Poster

    Uijttewaal, M.; Hickel, T.; Neugebauer, J.: Ab initio investigation of temperature dependent effects in magnetic shape memory alloys. Evaluation of the SPP 1239 program, Dresden, Germany (2008)