Veröffentlichungen

Veröffentlichungen

Zeitschriftenartikel (21)

  1. 21.
    Zeitschriftenartikel
    Hickel, T.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Advancing density functional theory to finite temperatures: Methods and applications in steel design. Journal of Physics: Condensed Matter 24, 053202 (2012)

Buchkapitel (2)

  1. 22.
    Buchkapitel
    Todorova, M.: Handling Time and Temperature in Materials Simulation. In: Characterization of Materials (Hg. Kaufman, E. N.). WILEY (2012)
  2. 23.
    Buchkapitel
    Nikolov, S.; Fabritius, H.-O.; Friák, M.; Raabe, D.; Neugebauer, J.: Hierarchical modeling of biological nanocomposites. In: Mechanics of Nanomaterials and Nanotechnology, S. 199 - 224 (Hg. Kavardzhikov, V.; Parashkevova, L.; Baltov, A.). Institute of Mechanics - BAS, Sofia, Sofia, Bulgaria (2012)

Konferenzbeitrag (2)

  1. 24.
    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)
  2. 25.
    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)

Vortrag (112)

  1. 26.
    Vortrag
    Neugebauer, J.: Ab initio based free energy sampling. Workshop, Lake Arrowhead, CA, USA (2012)
  2. 27.
    Vortrag
    Neugebauer, J.: Materials Design based on predictive ab initio Thermodynamics. Colloquium Talk at Imperial College London, London, UK (2012)
  3. 28.
    Vortrag
    Neugebauer, J.: Fully ab initio determination of free energies: Achievments and challenges. SGTE-Workshop, Herzogenrath, Germany (2012)
  4. 29.
    Vortrag
    Hüter, C.; Twiste, F.; Spatschek, R.; Neugebauer, J.: Liquid Metal Embrittlement: Linking Small Scale Wetting Phenomena and Mesoscale Pattern Formation Processes. MRS 2012, Boston, MA, USA (2012)
  5. 30.
    Vortrag
    Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio point defects up to melting: Deviations from Arrhenius-like behavior. MRS, Fall meeting, Boston, MA, USA (2012)
  6. 31.
    Vortrag
    Spatschek, R.; Korbmacher, D.; von Pezold, J.; Hüter, C.; Brinckmann, S.; Neugebauer, J.: Scale Bridging Modeling of Hydrogen Embrittlement. 2012 MRS Fall Meeting & Exhibit, Boston, MA, USA (2012)
  7. 32.
    Vortrag
    Grabowski, B.: Quantitative Limits of DFT Phase Transitions: Importance of Anharmonicity, Point Defects and Exchange-Correlation Functionals. Workshop on "Simulation of Complex Microstructure Pathways for Alloy Design.", McMaster University, Hamilton, Canada (2012)
  8. 33.
    Vortrag
    Grabowski, B.; Tasan, C.: Design of Adaptive Structural Materials: A coupled theoretical-experimental approach. 10th Materials Day, Bochum, Germany (2012)
  9. 34.
    Vortrag
    Neugebauer, J.: Fully ab initio determination of free energies: Basis for inverse approaches in materials design. MRS Fall Meeting, Boston, MA, USA (2012)
  10. 35.
    Vortrag
    Nikolov, S.; Fabritius, H.-O.; Friák, M.; Raabe, D.: The Multiscale Modeling of Biomaterials as a Tool for Understanding the Design Principles in Nature. IVth National Crystallographic Symposium, Sofia, Bulgaria (2012)
  11. 36.
    Vortrag
    Sandlöbes, S.; Friák, M.; Dick, A.; Zaefferer, S.; Pei, Z.; Zhu, L.-F.; Sha, G.; Ringer, S.; Neugebauer, J.; Raabe, D.: Combining ab initio calculations and high resolution experiments to improve the understanding of advanced Mg-Y and Mg-RE alloys. 7th Annual Conference of the ARC Centre of Excellence for Design in Light Metals, Melbourne, VIC, Australia (2012)
  12. 37.
    Vortrag
    Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The influence of magnetic excitations on the phase stability of metals and steels. Seminar Talk at Institute for Pure and Applied Math, UCLA, University of California, Los Angeles, CA, USA (2012)
  13. 38.
    Vortrag
    Körmann, F.; Schreiber, S.: Thermodynamics based on Bond Order Potentials. Culminating IPAM Workshop, Lake Arrowhead, CA, USA (2012)
  14. 39.
    Vortrag
    Chakrabarty, A.; von Pezold, J.; Neugebauer, J.: Hydrogen in fcc antiferromagnetic FeMn: An ab-initio study. SFB761 annual retreat meeting 2012, Bad Neuenahr, Germany (2012)
  15. 40.
    Vortrag
    Neugebauer, J.: Ab initio based multiscale modeling of structural materials: From a predictive thermodynamic description to tailored mechanical properties. MMM 2012 - Multiscale Materials Modeling Conference, Singapore City, Singapore (2012)
 
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