Regensburg 2022 – scientific programme
Parts | Days | Selection | Search | Updates | Downloads | Help
O: Fachverband Oberflächenphysik
O 39: Tribology
O 39.2: Talk
Wednesday, September 7, 2022, 10:45–11:00, H6
High-throughput calculations of heterogeneous interfaces for tribology — •Michael Wolloch1,2, Gabriele Losi3, Omar Chehaimi3, Firat Yalcin1, Mauro Ferrario4, and M. Clelia Righi3 — 1CMP, University of Vienna, Vienna, Austria — 2VASP software GmbH, Vienna, Austria — 3DIFA, University of Bologna, Bologna, Italy — 4FIM, UNIMORE, Modena, Italy
We have shown in the past that fundamental properties of sliding interfaces like adhesion, friction, and ultimate strength, are closely connected to one another and the re-arrangement of charge at the interface [1-3]. We extended the previously presented approach for homogeneous interfaces to nearly arbitrary interfaces of crystalline surfaces, allowing us to treat heterogeneous interfaces of multi component systems [4].
In this talk we will present the fault tolerant and fully automatic workflow we developed, as well as initial results of the ongoing high-throughput studies we are conducting.
Part of this work was supported by ERC grant 865633 (SLIDE); [1] Wolloch et al. Sci. Rep. 9, 17062 (2019), [2] Restuccia et al. Comput. Mater. Sci., 154:517-529 (2018), [3] Wolloch et al. PRL 121, 026804 (2018) [4] Wolloch et al. Comput. Mater. Sci., 207:111302 (2022)