Publications

Publications

Journal Article (2)

  1. 1.
    Journal Article
    Grabowski, B.; Söderlind, P.; Hickel, T.; Neugebauer, J.: Temperature-driven phase transitions from first principles including all relevant excitations: The fcc-to-bcc transition in Ca. Physical Review B 84 (21), pp. 214107-1 - 214107-20 (2011)
  2. 2.
    Journal Article
    Friák, M.; Hickel, T.; Grabowski, B.; Lymperakis, L.; Udyansky, A.; Dick, A.; Ma, D.; Roters, F.; Zhu, L.-F.; Schlieter, A. et al.; Kühn, U.; Ebrahimi, Z.; Lebensohn, R. A.; Holec, D.; Eckert, J.; Emmerich, H.; Raabe, D.; Neugebauer, J.: Methodological challenges in combining quantum-mechanical and continuum approaches for materials science applications. European Physics Journal Plus 126, pp. 101-1 - 101-22 (2011)

Conference Paper (2)

  1. 3.
    Conference Paper
    Hickel, T.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Advancing DFT to finite temperatures: Methods and applications in steel design. PSI-k Newsletter 105, pp. 22 - 50 (2011)
  2. 4.
    Conference Paper
    Moerman, J.; Romano, P.; Tasan, C. C.; van Liempt, P.: Evaluation of geometrically necessary dislocations density (GNDD) near phase boundaries in dual phase steels by means of EBSD. International Conference on the Textures of Materials, ICOTOM 16, Bombay, India, December 12, 2011 - December 17, 2011. Materials Science Forum, pp. 485 - 488 (2011)

Talk (11)

  1. 5.
    Talk
    Moerman, J.; Romano, P.; Tasan, C. C.; van Liempt, P.: Evaluation of geometrically necessary dislocations density (GNDD) near phase boundaries in dual phase steels by means of EBSD. International Conference on the Textures of Materials, ICOTOM 16, Bombay, India (2011)
  2. 6.
    Talk
    Hickel, T.; Glensk, A.; Grabowski, B.; Neugebauer, J.: Ab initio up to the melting point: Integrated approach to derive accurate thermodynamic data for Al alloys. European Aluminium Association, European Aluminium Technology Platform, Working Group 5: Predictive Modelling, 5th workshop: ab initio modelling, Aachen, Germany (2011)
  3. 7.
    Talk
    Zaefferer, S.; Jäpel, T.; Tasan, C. C.; Konijnenberg, P.: Detailed observation of martensite transformation and twinning in TRIP and TWIP steels using advanced SEM diffraction techniques. ICOMAT 2011, Osaka, Japan (2011)
  4. 8.
    Talk
    Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Anharmonicity in copper. CM-Workshop, Attendorn, Germany (2011)
  5. 9.
    Talk
    Hickel, T.; Grabowski, B.; Nazarov, R.; Sandschneider, N.; Neugebauer, J.: Ab initio determination of point defects and derived diffusion properties in metals. 3rd Sino-German Symposium, Xi’an, Shaanxi, China (2011)
  6. 10.
    Talk
    Hickel, T.; Grabowski, B.; Körmann, F.; Dick, A.; Neugebauer, J.: Computational Phase Studies: Deriving free energies and phase transitions from first principles. CECAM workshop 442: Materials Informatics: Tools for Design and Discovery, Lausanne, Switzerland (2011)
  7. 11.
    Talk
    Tasan, C. C.; Zaefferer, S.; Raabe, D.: Deformation induced dislocation interactions near martensite-ferrite phase boundaries. MRS Fall Meeting 2011, San Francisco, CA, USA (2011)
  8. 12.
    Talk
    Neugebauer, J.; Nazarov, R.; Grabowski, B.; Körmann, F.; von Pezold, J.; Hickel, T.: Fully Ab Initio Description of Point Defect Formation and Properties at Extreme Temperatures. MRS 2011 Spring Meeting, San Francisco, CA, USA (2011)
  9. 13.
    Talk
    Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio prediction of thermodynamic data for selected phases of the Al–Mg–Si–Cu system. DPG conference, Dresden, Germany (2011)
  10. 14.
    Talk
    Hickel, T.; Körmann, F.; Grabowski, B.; Dick, A.; Neugebauer, J.: First principles concepts to calculate thermodynamic properties of magnetic materials. ICAMS Advanced Discussions, Bochum, Germany (2011)
  11. 15.
    Talk
    Tasan, C. C.; Zaefferer, S.; Raabe, D.: Deformation-induced geometrically necessary dislocation evolution in dual-phase steel. 20th EBSD Conference, Düsseldorf, Germany (2011)

Poster (2)

  1. 16.
    Poster
    Diehl, M.; Eisenlohr, P.; Roters, F.; Tasan, C. C.; Raabe, D.: Using a "Virtual Laboratory" to Derive Mechanical Properties of Complex Microstructures. Materials to Innovate Industry and Society, Noordwijkerhout, The Netherlands (2011)
  2. 17.
    Poster
    Korbmacher, D.; Hüter, C.; von Pezold, J.; Spatschek, R.; Neugebauer, J.: Continuum modeling of hydrogen embrittlement. Gordon conference "Physical Metallurgy", Easton, MA, USA (2011)
 
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