Publications

Publications

Poster (179)

  1. 1521.
    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.
    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.
    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.
    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.
    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.
    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.
    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.
    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.
    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.
    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.
    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.
    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.
    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.
    Poster
    von Pezold, J.; Neugebauer, J.: A multiscale approach to hydrogen embrittlement. Recent developments in interatomic potentials, Oxford, UK (2008)
  15. 1535.
    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.
    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.
    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.
    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.
    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.
    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)
 
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