Publications

Poster (179)

1. 1561.
   MPG.PuRe
   Poster

   Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: A first principle determination of phase transitions in magnetic shape memory alloys. Multiscale approach to alloys: Advances and challenges, Stockholm, Sweden (2007)
2. 1562.
   MPG.PuRe
   Poster

   Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: Determination of symmetry reduced structures by a soft-phonon analysis in magnetic shape memory alloys. Theory meets industry. The impact of density-functional calculation on materials science, Vienna, Austria (2007)
3. 1563.
   MPG.PuRe
   Poster

   Petrov, M.; Friák, M.; Lymperakis, L.; Neugebauer, J.; Raabe, D.: Hardness anisotropy of crystalline alpha-chitin: An ab-initio based conformational analysis. Spring meeting of the German Physical Society (DPG), Regensburg, Germany (2007)
4. 1564.
   MPG.PuRe
   Poster

   Petrov, M.; Lymperakis, L.; Neugebauer, J.: Nonlinear Elastic Effects in Group III-Nitrides. Mid-term Review Meeting of PARSEM, Berlin, Germany (2007)
5. 1565.
   MPG.PuRe
   Poster

   Uijttewaal, M.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Towards an ab initio determination of the phase transformations of Ni₂MnGa. Fokus-Treffen of the SPP 1239, Schloss Ringberg, Germany (2007)
6. 1566.
   MPG.PuRe
   Poster

   Grabowski, B.; Hickel, T.; Neugebauer, J.: Accuracy and error bars of DFT calculated thermodynamic properties for elementary metals. 13th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Trieste, Italy (2007)
7. 1567.
   MPG.PuRe
   Poster

   Hickel, T.; Grabowski, B.; Uijttewaal, M.; Neugebauer, J.: Determination of symmetry-reduced structures by a soft-phonon analysis in magnetic shape memory alloys. 13th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Trieste, Italy (2007)
8. 1568.
   MPG.PuRe
   Poster

   Kim, O.; Friák, M.; Neugebauer, J.: Ab-initio study of formation energies in steel and their relations to the solubility limits of carbon in austenite and ferrite. Multiscale Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)
9. 1569.
   MPG.PuRe
   Poster

   Petrov, M.; Friák, M.; Lymperakis, L.; Neugebauer, J.; Raabe, D.: An ab-initio study of hardness anisotropy of crystalline alpha-chitin. International Max-Planck Workshop on Multiscale Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)
10. 1570.
    MPG.PuRe
    Poster

    Lymperakis, L.; Neugebauer, J.: Ab-initio based multiscale calculations of grain boundaries in Aluminium. ESOMAT 2006, Bochum, Germany (2006)
11. 1571.
    MPG.PuRe
    Poster

    Abu-Farsakh, H.; Neugebauer, J.: Enhancing the solubility of N in GaAs and InAs by surface kinetics. 28th International Conference on the Physics of Semiconductors, Vienna, Austria (2006)
12. 1572.
    MPG.PuRe
    Poster

    Dick, A.; Yang, R.; Yang, H.; Smith, A. R.; Neugebauer, J.: Ab-Initio Analysis of SP-STM of Mn₃N₂ (010) Surfaces. 4th International Conference on Scanning Probe Spectroscopy (SPS'06) and 1st International Workshop on Spin-Polarized Scanning Tunneling Microscopy (SPSTM-1), Hamburg, Germany (2006)
13. 1573.
    MPG.PuRe
    Poster

    Abu-Farsakh, H.; Neugebauer, J.: Enhancing bulk solubility by surface engineering: An ab-initio study. Workshop: Ab initio Description of Iron and Steel, Status and future challenges, Ringberg Castle, Germany (2006)
14. 1574.
    MPG.PuRe
    Poster

    Dick, A.; Pascual, N.; Horn, K.; Neugebauer, J.: Novel techniques to study the bulk electronic structure of metals: An ab initio based analysis of scanning tunneling microscopy. International workshop "Ab initio Description of Iron and Steel (ADIS2006), Ringberg Castle, Germany (2006)
15. 1575.
    MPG.PuRe
    Poster

    Hickel, T.; Grabowski, B.; Neugebauer, J.; Neumann, B.; Neumann, K.-U.; Ziebeck, K. R. A.: Temperature dependent properties of the Heusler alloy Ni²⁺xMn^1-xGa. International Workshop on Ab initio Description of Iron and Steel (ADIS2006), Status and future challenges, Ringberg Castle, Germany (2006)
16. 1576.
    MPG.PuRe
    Poster

    Ismer, L.; Ireta, J.; Neugebauer, J.: Employing DFT and periodic boundary conditions to study the thermodynamic stability of the secondary structure of proteins. ADIS 2006, Ringberg Castle (2006)
17. 1577.
    MPG.PuRe
    Poster

    Marquardt, O.: Shape effects of semiconductor quantum dots on the optical spectra. ADIS 2006, Ringberg Castle, Germany (2006)
18. 1578.
    MPG.PuRe
    Poster

    Friák, M.; Neugebauer, J.; Sander, B.; Raabe, D.: Ab initio study of chemical and structural trends of Ti-based binary alloys. Materials Research Society fall meeting, Boston, MA, USA (2006)
19. 1579.
    MPG.PuRe
    Poster

    Friák, M.; Neugebauer, J.: Anomalous equilibrium volume change of magnetic Fe–Al crystals. 3rd Discussion Meeting on the Development of Innovative Iron Aluminium Alloys, Mettmann, Germany (2006)
20. 1580.
    MPG.PuRe
    Poster

    Lymperakis, L.; Neugebauer, J.: Exploring the 5D configurational space of grain boundaries in aluminun: An ab-initio based multiscale analysis. MRS Fall Meeting, Boston, MA, USA (2006)