Veröffentlichungen

Veröffentlichungen

Konferenzbeitrag (29)

  1. 381.
    Konferenzbeitrag
    Fultz, B. T.; Mauger, L.; Körmann, F.; Grabowski, B.; Lucas, M. S.; Muñoz, J. A.; Tracy, S. J.; Dutta, B.; Hickel, T.; Neugebauer, J.: Stabilization of bcc iron by magnon-phonon interactions. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, S. 709 - 710 (Hg. Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, 28. Juni 2015 - 03. Juli 2015. International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, Whistler, BC, Canada (2015)
  2. 382.
    Konferenzbeitrag
    Huber, L.; Grabowski, B.; Militzer, M.; Neugebauer, J.; Rottler, J.: Multi-scale quantum mechanical calculations of solute-grain boundary interaction. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, S. 779 - 784 (Hg. Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, 28. Juni 2015 - 03. Juli 2015. International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, Whistler, British Columbia (2015)
  3. 383.
    Konferenzbeitrag
    Koprek, A.; Cojocaru-Mirédin, O.; Würz, R.; Freysoldt, C.; Raabe, D.: Cd and impurity redistribution at the p-n junction of CIGS based solar cells resolved by atom-probe tomography. In: Photovoltaic Specialist Conference (PVSC), S. 1 - 6 (Hg. IEEE ). Photovoltaic Specialist Conference (PVSC), 2015 IEEE 42nd , New Orleans, LA, USA, 14. Juni 2015 - 19. Juni 2015. (2015)
  4. 384.
    Konferenzbeitrag
    Korbmacher, D.; Glensk, A.; Grabowski, B.; Hickel, T.; Duff, A.; Finnis, M. W.; Neugebauer, J.: Ab initio description of the Ti BCC to ω transition at finite temperatures. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, S. 755 - 756 (Hg. Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, 28. Juni 2015 - 03. Juli 2015. International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, Whistler, BC, Canada (2015)
  5. 385.
    Konferenzbeitrag
    Neugebauer, J.; Glensk, A.; Leyson, G. P. M.; Körmann, F.; Grabowski, B.; Hickel, T.: Ab initio description of finite temperature phase stabilities and transformations. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, S. 751 - 752 (Hg. Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, 28. Juni 2015 - 03. Juli 2015. PTM 2015, Whistler, British Columbia (2015)
  6. 386.
    Konferenzbeitrag
    Nikolov, S. D.; Fabritius, H.-O.; Friák, M.; Raabe, D.: Integrated multiscale modeling approach for hierarchical biological nanocomposites applied to lobster cuticle. National Conference on Physics, Plovdiv, Bulgaria, 10. Oktober 2014 - 12. Oktober 2014. Bulgarian Chemical Communications 47 (B), S. 424 - 433 (2015)
  7. 387.
    Konferenzbeitrag
    Friák, M.; Zhu, L.-F.; Lymperakis, L.; Titrian, H.; Aydin, U.; Janus, A. M.; Fabritius, H.-O.; Ziegler, A. S.; Nikolov, S. D.; Hemzalová, P. et al.; Raabe, D.; Neugebauer, J.: Quantum-mechanical study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals. In: Key Engineering Materials, Bd. 592-593, S. 335 - 341. 7th International Conference on Materials Structure and Micromechanics of Fracture (MSMF 7), Brno, Czech Republic, 01. Juli 2013 - 03. Juli 2013. (2014)
  8. 388.
    Konferenzbeitrag
    Hüter, C.; Boussinot, G.; Brener, E. A.; Spatschek, R. P.: Isothermal solidification in peritectic systems. In: Proceedings of the 2nd High Mangenese Steels Conference 2014 (2nd HMnS) (Hg. Bleck, W.; Raabe, D.). 2nd High Mangenese Steels Conference 2014 (2nd HMnS), Aachen, Germany, 31. August 2014 - 04. September 2014. (2014)
  9. 389.
    Konferenzbeitrag
    Bleskov, I.; Theuwissen, K.; Connetable, D.; Lacaze, J.; Gonzalez, H. B.: Effect of Antimony on Primary Graphite Growth in Cast Iron-From Ab-Initio Calculations to Experimental Observations. In: TMS2013 Supplemental Proceedings. 2013 TMS Annual Meeting & Exhibition (Frontiers in Solidification Science Symposium), Henry B. Gonzalez Convention Center, San Antonio, TX, USA, 03. März 2013 - 07. März 2013. (2013)
  10. 390.
    Konferenzbeitrag
    Bleskov, I.; Theivwissen, K.; Connétable, D.; Lacaze, J. C.: Effect of antimony on primary graphite growth in cast iron - From Ab-initio calculations to experimental observations. In: TMS Annual Meeting, S. 515 - 521. 142nd Annual Meeting and Exhibition: Linking Science and Technology for Global Solutions, TMS 2013, San Antonio, TX, USA, 03. März 2013 - 07. März 2013. (2013)
  11. 391.
    Konferenzbeitrag
    Landa, A.; Söderlind, P.; Grabowski, B.; Patrice, E. A.; Turchi, A.; Ruban, A. V.; Vitos, L.: Ab Initio Study of Advanced Metallic Nuclear Fuels for Fast Breeder Reactors. In: Materials Research Society Proceedings, Bd. 1444. 2012 MRS Spring Meeting, San Francisco, CA, USA, 09. April 2012 - 13. April 2012. (2012)
  12. 392.
    Konferenzbeitrag
    Sandlöbes, S.; Friák, M.; Dick, A.; Zaefferer, S.; Yi, S.; Letzig, D.; Pei, Z.; Zhu, L.-F.; Neugebauer, J.; Raabe, D.: Complementary TEM and ab ignition study on the ductilizing effect of Y in solid solution Mg–Y alloys. In: Proceedings of the 9th Intern. Conference on Magnesium alloys and their applications, S. 467 - 472. 9th Intern. Conference on Magnesium alloys and their applications, Vancouver, Canada, 08. Juli 2012 - 12. Juli 2012. (2012)
  13. 393.
    Konferenzbeitrag
    Hickel, T.; Nazarov, R.; von Pezold, J.; Friák, M.; Neugebauer, J.; Ismer, L.: Identification of hydrogen related mechanisms in steels using ab initio methods. Proceedings of Steel Hydrogen Conference, Ghent, Belgium, 28. September 2011. (2011)
  14. 394.
    Konferenzbeitrag
    Hickel, T.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Advancing DFT to finite temperatures: Methods and applications in steel design. PSI-k Newsletter 105, S. 22 - 50 (2011)
  15. 395.
    Konferenzbeitrag
    Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Electrostatic interactions between charged defects in supercells. CECAM Workshop, Lausanne, Switzerland, 08. Juni 2009 - 10. Juni 2009. Physica Status Solidi B 248 (5), S. 1067 - 1076 (2011)
  16. 396.
    Konferenzbeitrag
    Marquardt, O.; Schulz, S.; O’Reilly, E. P.; Freysoldt, C.; Boeck, S.; Hickel, T.; Neugebauer, J.: A flexible, plane-wave-based formulation of continuum elasticity and multiband k.p models. 11th Intern. Conference on Numerical Simulation of Optoelectronic Devices, Rome, Italy, 05. September 2011 - 08. September 2011., (2011)
  17. 397.
    Konferenzbeitrag
    Petrov, M.; Holec, D.; Lymperakis, L.; Neugebauer, J.; Humphreys, C. J.: Strain-induced effects on the electronic structure and N K-edge ELNES of wurtzite AlN and AlxGa1-xN. 17th International Conference on Microscopy of Semiconducting Materials 2011, University of Cambridge, UK, 04. April 2011 - 07. April 2011. Journal of Physics Conference Series 326, S. 012016-1 - 012016-5 (2011)
  18. 398.
    Konferenzbeitrag
    Sandlöbes, S.; Schestakow, I.; Yi, S. B.; Zaefferer, S.; Chen, J.; Friák, M.; Neugebauer, J.; Raabe, D.: The relation between shear banding, microstructure and mechanical properties in Mg and Mg–Y alloys. 5th International Conference on Light Metals Technology V, Lüneburg, Germany, 19. Juli 2011 - 22. Juli 2011. Materials Science Forum 690, S. 202 - 205 (2011)
  19. 399.
    Konferenzbeitrag
    Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Ab initio determined materials-design limits in ultra light-weight Mg-Li alloys. (2009)
  20. 400.
    Konferenzbeitrag
    Friák, M.; Deges, J.; Stein, F.; Palm, M.; Frommeyer, G.; Neugebauer, J.: Ab Initio Study of Elastic Properties in Fe3Al-Based Alloys. In: 2008 Materials Research Society Symposium Proceedings, Bd. 1128, S. 59 - 64. Symposium on Advanced Intermetallic-Based Alloys for Extreme Environment and Energy Applications held at the 2008 MRS Fall Meeting, Boston, MA, USA, 01. Dezember 2008 - 05. Dezember 2008. (2009)
 
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