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Journal Article (240)

  1. 181.
    Journal Article
    Renner, F. U.; Eckstein, G. A.; Lymperakis, L.; Dakkouri-Baldauf, A.; Rohwerder, M.; Neugebauer, J.; Stratmann, M.: In situ scanning tunneling microscopy study of selective dissolution of Au3Cu and Cu3Au (001). Electrochimica Acta 56 (4), pp. 1694 - 1700 (2011)
  2. 182.
    Journal Article
    Schlieter, A.; Kühn, U.; Eckert, J.; Löser, W.; Gemming, T.; Friák, M.; Neugebauer, J.: Anisotropic mechanical behavior of ultrafine eutectic TiFe cast under non-equilibrium conditions. Intermetallics 19, pp. 327 - 335 (2011)
  3. 183.
    Journal Article
    Udyansky, A.; von Pezold, J.; Dick, A.; Neugebauer, J.: Orientational ordering of interstitial atoms and martensite formation in dilute Fe-based solid solutions. Physical Review B 83 (18), pp. 184112-1 - 184112-11 (2011)
  4. 184.
    Journal Article
    Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Using ab initio calculations in designing bcc MgLi–X alloys for ultra-lightweight applications. Advanced Engineering Materials 12 (12), pp. 1198 - 1205 (2010)
  5. 185.
    Journal Article
    Nazarov, R.; Hickel, T.; Neugebauer, J.: First-principles study of the thermodynamics of hydrogen-vacancy interaction in fcc iron. Physical Review B 82 (22), pp. 224104-1 - 224104-11 (2010)
  6. 186.
    Journal Article
    Elstnerová, P.; Friák, M.; Fabritius, H.; Lymperakis, L.; Hickel, T.; Petrov, M.; Nikolov, S.; Raabe, D.; Ziegler, A.; Hild, S. et al.; Neugebauer, J.: Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite. Acta Biomaterialia 6 (12), pp. 4506 - 4512 (2010)
  7. 187.
    Journal Article
    Valtiner, M.; Todorova, M.; Neugebauer, J.: Hydrogen Adsorption on polar ZnO(0001)–Zn: Extending equilibrium surface phase diagrams to kinetically stabilized structures. Physical Review B 82 (16), 165418 (2010)
  8. 188.
    Journal Article
    Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Ab Initio Guided Design of bcc Ternary Mg–Li–X (X=Ca,Al,Si,Zn,Cu) Alloys for Ultra-Lightweight Applications. Advanced Engineering Materials 12 (7), pp. 572 - 576 (2010)
  9. 189.
    Journal Article
    Krein, R.; Friák, M.; Neugebauer, J.; Palm, M.; Heilmaier, M.: L21-ordered Fe–Al–Ti alloys. Intermetallics 18 (7), pp. 1360 - 1364 (2010)
  10. 190.
    Journal Article
    Lange, B.; Freysoldt, C.; Neugebauer, J.: Native and hydrogen-containing point defects in Mg3N2: A density functional theory study. Physical Review B 81, 224109, pp. 1 - 10 (2010)
  11. 191.
    Journal Article
    Friák, M.; Neugebauer, J.: Ab initio study of the anomalous volume-composition dependence. Intermetallics 18, pp. 1316 - 1321 (2010)
  12. 192.
    Journal Article
    Friák, M.; Deges, J.; Krein, R.; Frommeyer, G.; Neugebauer, J.: Combined ab initio and experimental study of structural and elastic properties of Fe3Al-based ternaries. Intermetallics 18, pp. 1310 - 1315 (2010)
  13. 193.
    Journal Article
    Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Rescaled Monte Carlo approach for magnetic systems: Ab initio thermodynamics of bcc iron. Physical Review B 81 (13), pp. 134425 - 134434 (2010)
  14. 194.
    Journal Article
    Marquardt, O.; Boeck, S.; Freysoldt, C.; Hickel, T.; Neugebauer, J.: Plane-wave implementation of the real-space k.p formalism and continuum elasticity theory. Computer Physics Communications 181 (4), pp. 765 - 771 (2010)
  15. 195.
    Journal Article
    Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio study on the solubility and kinetics of hydrogen in austenitic high Mn steels. (submitted)
  16. 196.
    Journal Article
    von Pezold, J.; Dick, A.; Friák, M.; Neugebauer, J.: Generation and performance of special quasirandom structures for studying the elastic properties of random alloys: Application to Al–Ti. Physical Review B 81 (9), pp. 094203-1 - 094203-7 (2010)
  17. 197.
    Journal Article
    Nikolov, S.; Petrov, M.; Lymperakis, L.; Friák, M.; Sachs, C.; Fabritius, H.; Raabe, D.; Neugebauer, J.: Revealing the Design Principles of High-Performance Biological Composites Using Ab initio and Multiscale Simulations: The Example of Lobster Cuticle. Advanced Materials 22 (4), pp. 519 - 526 (2010)
  18. 198.
    Journal Article
    Hallstedt, B.; Djurovica, D.; von Appen, J.; Dronskowski, R.; Dick, A.; Körmann, F.; Hickel, T.; Neugebauer, J.: Thermodynamic properties of cementite (Fe3C). CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry 34, pp. 129 - 133 (2010)
  19. 199.
    Journal Article
    Marquardt, O.; Hickel, T.; Neugebauer, J.: Polarization-induced charge carrier separation in polar and nonpolar grown GaN quantum dots. Journal of Applied Physics 106, pp. 083707-1 - 083707-7 (2009)
  20. 200.
    Journal Article
    Dick, A.; Hickel, T.; Neugebauer, J.: The Effect of Disorder on the Concentration-Dependence of Stacking Fault Energies in Fe1-xMnx – A First Principles Study. Steel Research International 80 (9), pp. 603 - 608 (2009)
 
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