Publications

Stephen Hocker, D. Rapp, and Siegfried Schmauder. Molecular dynamics simulations of strengthening due to silver precipitates in copper matrix. Physica Status Solidi B, (254)52017. [PUMA: 2017 sfb716 sfb716-b sfb716-b2 visus:hockersn visus:schmausd] URL

S. Sajadi, Stephen Hocker, A. Mora, Peter Binkele, J. Seeger, and Siegfried Schmauder. Precipitation in a copper matrix modeled by ab initio calculations and atomistic kinetic Monte Carlo simulations. Physica Status Solidi B, (254)42017. [PUMA: 2017 sfb716 sfb716-b sfb716-b2 visus:binkelpr visus:hockersn visus:schmausd] URL

Stephen Hocker, D. Rapp, and Siegfried Schmauder. Molecular dynamics simulations of strengthening due to silver precipitates in copper matrix. Physica Status Solidi B, (254)52017. [PUMA: sfb716-b2 sfb716 visus:hockersn visus:schmausd vis(us) sfb716-b from:mueller 2017] URL

S. Sajadi, Stephen Hocker, A. Mora, Peter Binkele, J. Seeger, and Siegfried Schmauder. Precipitation in a copper matrix modeled by ab initio calculations and atomistic kinetic Monte Carlo simulations. Physica Status Solidi B, (254)42017. [PUMA: sfb716-b2 sfb716 visus:hockersn visus:schmausd vis(us) sfb716-b from:mueller 2017 visus:binkelpr] URL

Svetlana E. Kulkova, Alexander V. Bakulin, S. S. Kulkov, Stephen Hocker, and Siegfried Schmauder. Influence of interstitial impurities on the Griffith work in Ti-based alloys. Physica Scripta, (90)940102015. [PUMA: 2015 sfb716 sfb716-b sfb716-b2 visus:hockersn visus:schmausd] URL

Alexander V. Bakulin, T. I. Spiridonova, Svetlana E. Kulkova, Stephen Hocker, and Siegfried Schmauder. Hydrogen diffusion in doped and undoped alpha-Ti: An ab-initio investigation. International Journal of Hydrogen Energy, (41)2016. [PUMA: 2016 sfb716 sfb716-b sfb716-b2 visus:hockersn visus:schmausd] URL

Stephen Hocker, Martin Hummel, Peter Binkele, Hansjörg Lipp, and Siegfried Schmauder. Molecular dynamics simulations of tensile tests of Ni- Cu- Mg- and Ti-alloyed aluminium nanopolycrystals. Computational Materials Science, (116)2016. [PUMA: 2016 sfb716 sfb716-b sfb716-b2 visus:binkelpr visus:hockersn visus:hummelmn visus:schmausd] URL

Svetlana E. Kulkova, Alexander V. Bakulin, S. S. Kulkov, Stephen Hocker, and Siegfried Schmauder. Influence of interstitial impurities on the Griffith work in Ti-based alloys. Physica Scripta, (90)940102015. [PUMA: sfb716-b2 sfb716 visus:hockersn visus:schmausd vis(us) sfb716-b 2015 from:mueller] URL

Alexander V. Bakulin, T. I. Spiridonova, Svetlana E. Kulkova, Stephen Hocker, and Siegfried Schmauder. Hydrogen diffusion in doped and undoped alpha-Ti: An ab-initio investigation. International Journal of Hydrogen Energy, (41)2016. [PUMA: sfb716-b2 sfb716 visus:hockersn visus:schmausd vis(us) sfb716-b from:mueller 2016] URL

Stephen Hocker, Martin Hummel, Peter Binkele, Hansjörg Lipp, and Siegfried Schmauder. Molecular dynamics simulations of tensile tests of Ni- Cu- Mg- and Ti-alloyed aluminium nanopolycrystals. Computational Materials Science, (116)2016. [PUMA: sfb716-b2 visus:hummelmn sfb716 visus:hockersn visus:schmausd vis(us) sfb716-b from:mueller 2016 visus:binkelpr] URL

Svetlana E. Kulkova, Alexander V. Bakulin, E. Chulkov, Stephen Hocker, and Siegfried Schmauder. First-principles study of the hydrogen absorption at Σ5 symmetrical tilt grain boundary in B2-TiFe alloy. International Journal of Hydrogen Energy, (37)2012. [PUMA: 2012 sfb716 sfb716-b sfb716-b2 visus:hockersn visus:schmausd] URL

Svetlana E. Kulkova, Stephen Hocker, Siegfried Schmauder, Alexander V. Bakulin, and S. S. Kulkov. Hydrogen Sorption in Titanium Alloys with a Symmetric Σ5(310) Tilt Grain Boundary and a (310) Surface. Journal of Experimental and Theoretical Physics, (115)32012. [PUMA: 2012 sfb716 sfb716-b sfb716-b2 visus:hockersn visus:schmausd] URL

Svetlana E. Kulkova, Alexander V. Bakulin, Stephen Hocker, Siegfried Schmauder, and E. Chulkov. Theoretical Study of Adhesion at the Metal–Zirconium Dioxide Interfaces. Technical Physics, (58)32013. [PUMA: 2013 sfb716 sfb716-b sfb716-b2 visus:hockersn visus:schmausd] URL

Stephen Hocker, Siegfried Schmauder, Alexander V. Bakulin, and Svetlana E. Kulkova. Ab initio investigation of tensile strengths of metal(111)/-Al2O3(0001) interfaces. Philosophical Magazine, (94)2014. [PUMA: 2014 sfb716 sfb716-b sfb716-b2 visus:hockersn visus:schmausd] URL

Svetlana E. Kulkova, Alexander V. Bakulin, E. Chulkov, Stephen Hocker, and Siegfried Schmauder. First-principles study of the hydrogen absorption at Σ5 symmetrical tilt grain boundary in B2-TiFe alloy. International Journal of Hydrogen Energy, (37)2012. [PUMA: sfb716-b2 sfb716 visus:hockersn visus:schmausd vis(us) sfb716-b from:mueller 2012] URL

Svetlana E. Kulkova, Stephen Hocker, Siegfried Schmauder, Alexander V. Bakulin, and S. S. Kulkov. Hydrogen Sorption in Titanium Alloys with a Symmetric Σ5(310) Tilt Grain Boundary and a (310) Surface. Journal of Experimental and Theoretical Physics, (115)32012. [PUMA: sfb716-b2 sfb716 visus:hockersn visus:schmausd vis(us) sfb716-b from:mueller 2012] URL

Svetlana E. Kulkova, Alexander V. Bakulin, Stephen Hocker, Siegfried Schmauder, and E. Chulkov. Theoretical Study of Adhesion at the Metal–Zirconium Dioxide Interfaces. Technical Physics, (58)32013. [PUMA: sfb716-b2 sfb716 visus:hockersn visus:schmausd vis(us) sfb716-b from:mueller 2013] URL

Stephen Hocker, Siegfried Schmauder, Alexander V. Bakulin, and Svetlana E. Kulkova. Ab initio investigation of tensile strengths of metal(111)/-Al2O3(0001) interfaces. Philosophical Magazine, (94)2014. [PUMA: sfb716-b2 sfb716 visus:hockersn visus:schmausd vis(us) sfb716-b from:mueller 2014] URL

Stephen Hocker, Peter Binkele, and Siegfried Schmauder. Precipitation in α -Fe based Fe-Cu-Ni-Mn-alloys: behaviour of Ni and Mn modelled by ab initio and kinetic Monte Carlo simulations. Applied Physics A, (115)2014. [PUMA: 2014 sfb716 sfb716-b sfb716-b2 sfb716-b7 visus:binkelpr visus:hockersn visus:schmausd] URL

David Molnar, Peter Binkele, Stephen Hocker, and Siegfried Schmauder. Atomistic multiscale simulations on the anisotropic tensile behaviour of copper-alloyed α-iron at different states of thermal ageing. Philosophical Magazine, (92)2012. [PUMA: 2012 sfb716 sfb716-b sfb716-b2 sfb716-b7 visus:binkelpr visus:hockersn visus:schmausd] URL