Publications

Publications

Journal Article (5)

  1. 1.
    Journal Article
    Hickel, T.; Dick, A.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Steel design from fully parameter-free ab initio computer simulations. Steel Research International 80, pp. 4 - 8 (2009)
  2. 2.
    Journal Article
    Tasan, C. C.; Hoefnagels, J.P.M.; Geers, M.G.D.: A brittle-fracture methodology for three-dimensional visualization of ductile deformation micromechanisms. Scripta Materialia 61 (1), pp. 20 - 23 (2009)
  3. 3.
    Journal Article
    Tasan, C. C.; Hoefnagels, J.P.M.; Geers, M.G.D.: A critical assessment of indentation-based ductile damage quantification. Acta Materialia 57 (15), pp. 4957 - 4966 (2009)
  4. 4.
    Journal Article
    Tasan, C. C.; Hoefnagels, J.P.M.; ten Horn, C.H.L.J.; Geers, M.G.D.: Experimental analysis of strain path dependent ductile damage mechanics and forming limits. Mechanics of Materials 41 (11), pp. 1264 - 1276 (2009)
  5. 5.
    Journal Article
    Tasan, C. C.; Kaynak, C.: Mechanical performance of resol type phenolic resin/layered silicate nanocomposites. Polymer Composites 30 (3), pp. 343 - 350 (2009)

Talk (15)

  1. 6.
    Talk
    Grabowski, B.: Towards ab initio assisted materials design: DFT based thermodynamics up to the melting point. PhD-Defense at University of Paderborn, Paderborn, Germany (2009)
  2. 7.
    Talk
    Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Anharmonicity and vacancies in aluminum. MRS Fall Meeting, Boston, MA, USA (2009)
  3. 8.
    Talk
    Hickel, T.; Grabowski, B.; Neugebauer, J.: Quantum mechanically based modeling of temperature driven materials phenomena. Colloquium "Material Science on Supercomputers", MPIE, Düsseldorf, Germany (2009)
  4. 9.
    Talk
    Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Towards a first-principles understanding of the iron phase diagram. Euromat 2009, Glasgow, UK (2009)
  5. 10.
    Talk
    Hickel, T.; Grabowski, B.; Körmann, F.; Dick, A.; Neugebauer, J.: The accuracy of first principles methods inpredicting thermodynamic properties of metals. XVIII International Material Research Conference, Cancun, Mexico (2009)
  6. 11.
    Talk
    Grabowski, B.: Ab initio investigation of temperature-driven martensitic transformations: Case study for alkali earth metals. DFG-Nachwuchsakademie Begutachtung, Bonn, Germany (2009)
  7. 12.
    Talk
    Neugebauer, J.; Grabowski, B.; Körmann, F.; Dick, A.; Hickel, T.: Ab Initio Thermodynamics: Status, applications and challenges. The second Sino-German Symposium on “Computational Thermodynamics and Kinetics and Their Applications to Solidification”, Kornelimünster/Aachen, Germany (2009)
  8. 13.
    Talk
    Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. 2nd Sino-German Symposium on Computational Thermodynamics and Kinetics and their Application to Solidification, Aachen, Germany (2009)
  9. 14.
    Talk
    Hickel, T.; Grabowski, B.; Ismer, L.; Neugebauer, J.: Role of Atomistic Simulations in the Prediction of Thermodynamic Properties of Materials. Workshop on Multi-Scale Computational Materials Design of Structural Materials, POSCO international center, Pohang, South Korea (2009)
  10. 15.
    Talk
    Hickel, T.; Grabowski, B.; Körmann, F.; Dick, A.; Neugebauer, J.: The accuracy of first principles methods in predicting thermodynamic properties of metals. Asia Steel 2009, Busan, South Korea (2009)
  11. 16.
    Talk
    Grabowski, B.: Ab initio investigation of temperature-driven martensitic transformations: Case study for alkali earth metals. DFG-Nachwuchsakademie, Simonskall, Eifel, Germany (2009)
  12. 17.
    Talk
    Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Anharmonicity and vacancies in aluminum. DPG Früjahrstagung, Dresden, Germany (2009)
  13. 18.
    Talk
    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. DPG Spring Meeting 2009, Dresden, Germany (2009)
  14. 19.
    Talk
    Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Anharmonicity and vacancies in aluminum. APS March Meeting, Pittsburgh, PA, USA (2009)
  15. 20.
    Talk
    Hickel, T.; Dick, A.; Körmann, F.; Grabowski, B.; Neugebauer, J.: Ab initio steel design: Achievements and challenges. Scientific Advisory Board Meeting 2009, MPI für Eisenforschung GmbH, Düsseldorf, Düsseldorf, Germany (2009)
 
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