Veröffentlichungen

Veröffentlichungen

Zeitschriftenartikel (12)

  1. 1.
    Zeitschriftenartikel
    Ma, D.; Friák, M.; Neugebauer, J.; Raabe, D.; Roters, F.: Multiscale simulation of polycrystal mechanics of textured β-Ti alloys using ab initio and crystal-based finite element methods. Physica Status Solidi B 245 (12), S. 2642 - 2648 (2008)
  2. 2.
    Zeitschriftenartikel
    Marquardt, O.; Mourad, D.; Schulz, S.; Hickel, T.; Czycholl, G.; Neugebauer, J.: A comparison of atomistic and continuum theoretical approaches to determine electronic properties of GaN/AlN quantum dots. Physical Review B 78, 235302 (2008)
  3. 3.
    Zeitschriftenartikel
    Lencer, D.; Salinga, M.; Grabowski, B.; Hickel, T.; Neugebauer, J.: A map for phase-change materials. Nature Materials 7, S. 972 - 977 (2008)
  4. 4.
    Zeitschriftenartikel
    Friák, M.; Counts, W. A.; Raabe, D.; Neugebauer, J.: Error-propagation in multiscale approaches to the elasticity of polycrystals. Physica Status Solidi (B) 245, S. 2636 - 2641 (2008)
  5. 5.
    Zeitschriftenartikel
    Lange, B.; Posner, R.; Pohl, K.; Thierfelder, C.; Grundmeier, G.; Blankenburg, S.; Schmidt, W.G.: Water adsorption on hydrogenated Si(111) surfaces. Surface Science 603 (1), S. 60 - 64 (2008)
  6. 6.
    Zeitschriftenartikel
    Körmann, F.; Kienert, J.; Schwieger, S.; Nolting, W.: Cu cap layer on Ni8/Cu(001): reorientation and Tc-shift. The European Physical Journal B 65, S. 499 - 504 (2008)
  7. 7.
    Zeitschriftenartikel
    Körmann, F.; Dick, A.; Grabowski, B.; Hallstedt, B.; Hickel, T.; Neugebauer, J.: Free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. Physical Review B 78, 033102 (2008)
  8. 8.
    Zeitschriftenartikel
    Friák, M.; Sob, M.: Ab initio study of the bcc-hcp transformation in iron. Physical Review B 77, 174117, S. 174117 (2008)
  9. 9.
    Zeitschriftenartikel
    Ismer, L.; Ireta, J.; Neugebauer, J.: First principles free energy analysis of helix stability: The origin of the low entropy in pi-helices. Journal of Physical Chemistry B 112, S. 4109 - 4112 (2008)
  10. 10.
    Zeitschriftenartikel
    Rinke, P.; Winkelnkemper, M.; Qteish, A.; Bimberg, D.; Neugebauer, J.; Scheffler, M.: Consistent set of band parameters for the group-III nitrides AlN, GaN, and InN. Physical Review B 77, 075202 (2008)
  11. 11.
    Zeitschriftenartikel
    Rinke, P.; Qteish, A.; Bimberg, D.; Neugebauer, J.; Scheffler, M.: Exciting prospects for solids: Exact-exchange based functionals meet quasiparticle energy. Physica Status Solidi (B) 245 (5), S. 929 - 945 (2008)
  12. 12.
    Zeitschriftenartikel
    Counts, W. A.; Friak, M.; Battaile, C. C.; Raabe, D.; Neugebauer, J.: A comparison of polycrystalline elastic constants computed by analytic homogenization schemes and FEM. Physica Status Solidi B 245, S. 2630 - 2635 (2008)

Konferenzbeitrag (4)

  1. 13.
    Konferenzbeitrag
    Friák, M.; Sander, B.; Raabe, D.; Neugebauer, J.: Theory-guided design of Ti-based binaries for human implants. Second Workshop on Theory meets Industry, Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12. Juni 2007 - 14. Juni 2007. Journal of Physics-Condensed Matter (6), (2008)
  2. 14.
    Konferenzbeitrag
    Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: Determination of symmetry reduced structures using a soft phonon analysis for magnetic shape memory alloys. Second Workshop on Theory meets Industry, Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12. Juni 2007 - 14. Juni 2007. Journal of Physics-Condensed Matter (6), (2008)
  3. 15.
    Konferenzbeitrag
    Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: Determination of symmetry reduced structures by a soft-phonon analysis in Ni2MnGa. MRS Fall Meeting 2007, Boston, MA, USA, 26. November 2007 - 30. November 2007. Magnetic Shape Memory Alloys, (2008)
  4. 16.
    Konferenzbeitrag
    Nikolov, S.; Sachs, C.; Fabritius, H.; Raabe, D.; Petrov, M.; Friak, M.; Neugebauer, J.; Lymperakis, L.; Ma, D.: Hierarchical modeling of the mechanical properties of lobster cuticle from nano‐ up to macroscale: The influence of the mineral content and the microstructure. In: Proceedings of MMM 2008 "Computational Modeling of biological and soft condensed matter systems", S. 667 - 670. 4th International Conference on Multiscale Materials Modeling, Tallahassee, FL, USA, 27. Oktober 2008 - 31. Oktober 2008. Dep. of Scientific Computing, Florida State University, USA (2008)

Vortrag (94)

  1. 17.
    Vortrag
    von Pezold, J.: Ab initio based approaches to failure mechanisms in steels: Application to hydrogen embrittlement. Materialphysikalisches Seminar, Georg August Universitaet Goettingen (2008)
  2. 18.
    Vortrag
    Todorova, M.: Oxidation von Übergangsmetalloberflächen. Technische und Makromolekulare Chemie, Universität Paderborn, Paderborn, Germany (2008)
  3. 19.
    Vortrag
    Rayson, M. J.: Progress in techniques for large-scale ab initio calculations: A quantum of speed-up. AIMPRO 2008, Institute of Materials Jean Rouxel, Nantes, France. (2008)
  4. 20.
    Vortrag
    Hickel, T.; Neugebauer, J.: Ab-initio simulation of hydrogen in metals. ICAMS Seminar, ICAMS Bochum, Germany (2008)
 
loading content
Zur Redakteursansicht