Veröffentlichungen

Poster (37)

1. 161.
   MPG.PuRe
   Poster

   Liot, F.; Friák, M.; Hickel, T.; Neugebauer, J.: Ab initio study of thermodynamic, structural and elastic properties of Al-/Si-substituted Laves phase Fe₂Nb. Materials Science and Engineering 2010, Darmstadt, Germany (2010)
2. 162.
   MPG.PuRe
   Poster

   von Pezold, J.; Dick, A.; Friák, M.; Neugebauer, J.: Accurate description of elastic properties of random alloys with minimum supercell sizes. Materials Science and Engineering 2010, Darmstadt, Germany (2010)
3. 163.
   MPG.PuRe
   Poster

   Todorova, M.; Valtiner, M.; Grundmeier, G.; Neugebauer, J.: Temperature Stabilised surface reconstructions at polar ZnO(0001). Gordon Research Seminar ''Corrosion - Aqueous'', Colby-Sawyer College, New London, NH, USA (2010)
4. 164.
   MPG.PuRe
   Poster

   Liot, F.; Hooley, C.: Thermal expansion anomaly in iron-based ferromagnets: The relation to magnetism. APS March Meeting 2010, Portland, OR, USA (2010)
5. 165.
   MPG.PuRe
   Poster

   Dick, A.; Hickel, T.; Neugebauer, J.: Structure and Energetics of the Stacking Faults in Austenitic FeMn Alloys Studied by First Principles Calculations. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
6. 166.
   MPG.PuRe
   Poster

   von Pezold, J.; Dick, A.; Friák, M.; Neugebauer, J.: Accurate description of elastic properties of random alloys with minimum supercell sizes. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
7. 167.
   MPG.PuRe
   Poster

   Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.: Chemical trends of the solution enthalpy of dilute hydrogen in 3d transition metals, derived from first principles. Summer School: Computational Materials Science, San Sebastian, Spain (2010)
8. 168.
   MPG.PuRe
   Poster

   Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio concepts for an efficient and accurate determination of thermodynamic properties up to the melting point. Summer School: Computational Materials Science, San Sebastian, Spain (2010)
9. 169.
   MPG.PuRe
   Poster

   Hamidi Siboni, N.; Hickel, T.; Friák, M.; Raabe, D.; Neugebauer, J.: Effect of interstitials on vacancy formation and mobility in metals. Summer School: Computational Materials Science, San Sebastian, Spain (2010)
10. 170.
    MPG.PuRe
    Poster

    Lange, B.; Freysoldt, C.; Neugebauer, J.: Constructing optimized atomic basis-sets with PW accuracy. Summer School: Computational Materials Science, San Sebastian, Spain (2010)
11. 171.
    MPG.PuRe
    Poster

    Tillack, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Combined ab initio studies and kinetic Monte Carlo simulations of nano-precipitation in ferritic steels. Summer School: Computational Materials Science, San Sebastian, Spain (2010)
12. 172.
    MPG.PuRe
    Poster

    von Pezold, J.; Dick, A.; Firák, M.; Neugebauer, J.: Accurate description of elastic properties of random alloys with minimum supercell sizes. Multiscale Materials Modeling, Freiburg, Germany (2010)

Lehrmaterial (3)

1. 173.
   MPG.PuRe
   Lehrmaterial

   Neugebauer, J.; Hickel, T.: Moderne Computersimulations-Methoden in der Festkörperphysik. Vorlesung: Hands-on-Tutorial, Ruhr-Universität Bochum, Bochum, Germany, 20. September 2010 - 24. September 2010
2. 174.
   MPG.PuRe
   Lehrmaterial

   Neugebauer, J.; Hickel, T.: Computerpraktikum: Moderne Computersimulationsmethoden in der Festkörperphysik. Vorlesung: Blockpraktikum, MPIE, Düsseldorf, Germany, 20. September 2010 - 24. September 2010
3. 175.
   MPG.PuRe
   Lehrmaterial

   Zaefferer, S.; Hickel, T.; Prahl, U.: Microstructures, Microscopy and Modelling. Vorlesung: Lecture and Excercises, SS 2010, RWTH Aachen, Aachen, Germany, 21. April 2010 - 14. Juli 2010

Hochschulschrift - Doktorarbeit (3)

1. 176.
   MPG.PuRe
   Hochschulschrift - Doktorarbeit

   Hamou, F. R.: Numerical Investigation of Scanning Electrochemical Potential Microscopy (SECPM). Dissertation, 132 S., Fakultät für Physik und Astronomie der Ruhr-Universität, Bochum, Germany (2010)
2. 177.
   MPG.PuRe
   Hochschulschrift - Doktorarbeit

   Abu-Farsakh, H.: Understanding the interplay between thermodynamics and surface kinetics in the growth of dilute nitride alloys from first principles. Dissertation, University of Paderborn, Paderborn, Germany (2010)
3. 178.
   MPG.PuRe
   Hochschulschrift - Doktorarbeit

   Marquardt, O.: Implementation and application of continuum elasticity theory and a k.p-model to investigate optoelectronic properties of semiconductor nanostructures. Dissertation, University of Paderborn, Paderborn, Germany (2010)

Hochschulschrift - Master (1)

1. 179.
   MPG.PuRe
   Hochschulschrift - Master

   Siboni, N. H.: Statistical and Quantum Mechanical Simulation of Interstitials in Metals - Mechanisms and Constraints for Superabundant Vacancy Formation. Master, RWTH Aachen, Institute for Computational Engineering Science, Aachen, Germany (2010)

Hochschulschrift - Bachelor (1)

1. 180.
   MPG.PuRe
   Hochschulschrift - Bachelor

   Tillack, N.: Combined Ab Initio and Kinetic Monte-Carlo Studies on Nano-Precipitates in Steels. Bachelor, Ruhr-Universität, Bochum, Germany (2010)