Holec, D., Paulitsch, J. U., & Mayrhofer, P. H. (2017). First principles study of water-based self-assembled nanobearing effect in CrN/TiN multilayer coatings. Solid State Phenomena, 258, 373–378. https://doi.org/10.4028/www.scientific.net/SSP.258.373
Density functional theory (DFT); Friction coefficient; Multilayer architecture; Surface energy
en
Abstract:
Recently, we have reported on low friction CrN/TiN coatings deposited using a hybrid sputtering technique. These multilayers exhibit friction coefficients μ below 0.1 when tested in atmosphere with a relative humidity ≈ 25%, but μ ranges between 0.6–0.8 upon decreasing the humidity below 5%. Here we use first principle calculations to study O and H adatom energetics on TiN and CrN (001) surfaces. The diffusional barrier of H on TiN (001) is about half of the value on CrN (001) surface, while both elements are stronger bonded on CrN. Based on these results we propose a mechanism for a water-based self-assembled nanobearing.
en
Project title:
Atomistische Untersuchung von metastabilen Phasen: Y371-N14 (FWF - Österr. Wissenschaftsfonds)
CC BY 4.0
