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Publications

  1. Sajadi, S. ; Hocker, Stephen ; Mora, A. ; Binkele, Peter ; Seeger, J. ; Schmauder, Siegfried: Precipitation in a copper matrix modeled by ab initio calculations and atomistic kinetic Monte Carlo simulations. In: Physica Status Solidi B, Physica Status Solidi B. Bd. 254 (2017), Nr. 4
  2. Hocker, Stephen ; Rapp, D. ; Schmauder, Siegfried: Molecular dynamics simulations of strengthening due to silver precipitates in copper matrix. In: Physica Status Solidi B, Physica Status Solidi B. Bd. 254 (2017), Nr. 5
  3. Hocker, Stephen ; Hummel, Martin ; Binkele, Peter ; Lipp, Hansjörg ; Schmauder, Siegfried: Molecular dynamics simulations of tensile tests of Ni- Cu- Mg- and Ti-alloyed aluminium nanopolycrystals. In: Computational Materials Science, Computational Materials Science. Bd. 116 (2016)
  4. Bakulin, Alexander V. ; Spiridonova, T. I. ; Kulkova, Svetlana E. ; Hocker, Stephen ; Schmauder, Siegfried: Hydrogen diffusion in doped and undoped alpha-Ti: An ab-initio investigation. In: International Journal of Hydrogen Energy, International Journal of Hydrogen Energy. Bd. 41 (2016)
  5. Schmauder, Siegfried ; Schäfer, I.: (Hrsg.): Multiscale Materials Modeling - Approaches to Full Multiscaling, Angewandte Chemie International Edition : Walter de Gruyter GmbH, 2016
  6. Kulkova, Svetlana E. ; Bakulin, Alexander V. ; Kulkov, S. S. ; Hocker, Stephen ; Schmauder, Siegfried: Influence of interstitial impurities on the Griffith work in Ti-based alloys. In: Physica Scripta, Physica Scripta. Bd. 90 (2015), Nr. 94010
  7. Hocker, Stephen ; Schmauder, Siegfried ; Bakulin, Alexander V. ; Kulkova, Svetlana E.: Ab initio investigation of tensile strengths of metal(111)/-Al2O3(0001) interfaces. In: Philosophical Magazine, Philosophical Magazine. Bd. 94 (2014b)
  8. Hocker, Stephen ; Binkele, Peter ; Schmauder, Siegfried: Precipitation in α -Fe based Fe-Cu-Ni-Mn-alloys: behaviour of Ni and Mn modelled by ab initio and kinetic Monte Carlo simulations. In: Applied Physics A, Applied Physics A. Bd. 115 (2014a)
  9. Kulkova, Svetlana E. ; Bakulin, Alexander V. ; Hocker, Stephen ; Schmauder, Siegfried ; Chulkov, E.: Theoretical Study of Adhesion at the Metal–Zirconium Dioxide Interfaces. In: Technical Physics, Technical Physics. Bd. 58 (2013), Nr. 3
  10. Kulkova, Svetlana E. ; Hocker, Stephen ; Schmauder, Siegfried ; Bakulin, Alexander V. ; Kulkov, S. S.: Hydrogen Sorption in Titanium Alloys with a Symmetric Σ5(310) Tilt Grain Boundary and a (310) Surface. In: Journal of Experimental and Theoretical Physics, Journal of Experimental and Theoretical Physics. Bd. 115 (2012b), Nr. 3
  11. Molnar, David ; Binkele, Peter ; Hocker, Stephen ; Schmauder, Siegfried: Atomistic multiscale simulations on the anisotropic tensile behaviour of copper-alloyed α-iron at different states of thermal ageing. In: Philosophical Magazine, Philosophical Magazine. Bd. 92 (2012)
  12. Kulkova, Svetlana E. ; Bakulin, Alexander V. ; Chulkov, E. ; Hocker, Stephen ; Schmauder, Siegfried: First-principles study of the hydrogen absorption at Σ5 symmetrical tilt grain boundary in B2-TiFe alloy. In: International Journal of Hydrogen Energy, International Journal of Hydrogen Energy. Bd. 37 (2012a)
  13. Hocker, Stephen ; Beck, Philipp ; Schmauder, Siegfried ; Roth, Johannes ; Trebin, Hans-Rainer: Simulation of crack propagation in alumina with ab initio based polarizable force field. In: The Journal of Chemical Physics, The Journal of Chemical Physics. Bd. 136 (2012)
  14. Hocker, Stephen ; Schmauder, Siegfried ; Kumar, P.: Molecular dynamics simulations of Ni/NiAl interfaces. In: European Physical Journal B, European Physical Journal B. Bd. 82 (2011)
  15. Kulkova, Svetlana E. ; Eremeev, S.V. ; Hocker, Stephen ; Schmauder, Siegfried: Electronic structure and adhesion on metal-aluminum-oxide interfaces. In: Physics of the Solid State, Physics of the Solid State. Bd. 52 (2010), Nr. 12
  16. Eremeev, S.V. ; Schmauder, Siegfried ; Hocker, Stephen ; Kulkova, Svetlana E.: Investigation of the electronic structure of Me/Al2O3(0 0 0 1) interfaces. In: Physica B: Condensed Matter, Physica B: Condensed Matter. Bd. 404 (2009b), Nr. 14
  17. Eremeev, S.V. ; Schmauder, Siegfried ; Hocker, Stephen ; Kulkova, Svetlana E.: Ab-initio investigation of Ni(Fe)/ZrO2(0 0 1) and Ni-Fe/ZrO2(0 0 1) interfaces. In: Surface Science, Surface Science. Bd. 603 (2009a), Nr. 14