Stephen Hocker
University of Stuttgart
42 Papers
148 Citations
Stephen Hocker is an academic researcher from University of Stuttgart. The author has contributed to research in topics: Ab initio & Diffusion (business). The author has an hindex of 10, co-authored 39 publications.
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Papers
Investigation of the electronic structure of Me/Al2O3(0 0 0 1) interfaces
Sergey V. Eremeev,Sergey V. Eremeev,Siegfried Schmauder,Stephen Hocker,Svetlana E. Kulkova,Svetlana E. Kulkova +5 more
TL;DR: In this article, the atomic and electronic structure of Me/α-Al 2 O 3 (0, 0, 0, 1) interfaces, where Me=Al, Ag, Cu, are investigated by the plane wave pseudopotential method within density functional theory.
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Influence of substitutional impurities on hydrogen diffusion in B2-TiFe alloy
Alexander V. Bakulin,Alexander V. Bakulin,S. S. Kulkov,S. S. Kulkov,Svetlana E. Kulkova,Svetlana E. Kulkova,Stephen Hocker,Siegfried Schmauder +7 more
TL;DR: In this paper, the hydrogen diffusion between octahedral interstices where it is surrounded by two Fe and four Ti atoms along [10-1] direction is most preferential in B2-TiFe alloy.
25
Simulation of crack propagation in alumina with ab-initio based polarizable force field
TL;DR: The developed potential is applied to investigate crack propagation in α-Al(2)O(3) single crystals and the polarizability of oxygen atoms is included by use of the Tangney-Scandolo interatomic force field approach.
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Ab-initio investigation of Ni(Fe)/ZrO2(0 0 1) and Ni–Fe/ZrO2(0 0 1) interfaces
TL;DR: In this paper, the atomic and electronic structures of Me/ZrO2(0 0 1) interfaces, where Me is Ni, Fe or a Ni-Fe alloy, are investigated by the plane wave pseudopotential method within density-functional theory.
21
Simulation of crack propagation in alumina with ab initio based polarizable force field
TL;DR: In this article, an atomic interaction potential for crystalline α-Al2O3 generated by the program potfit was presented, where the Wolf direct, pairwise summation method with spherical truncation was used for electrostatic interactions.
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