Abstract
The results of molecular dynamics (MD) simulations of nanoindentationand nanoscratching of titanium dioxide lattices are presented. TheTiO2 surfaces investigated are the (001) and {110} rutile surfaces and the anatase {100} and (001)surfaces. A spring model consisting of a cube cornered indenter connected tosupports, via a set of springs, was used to model the cantilever in an atomic forcemicroscope. Indentations were conducted to depths of 12 and 18 Å on each surface andscratching simulations were conducted for a length of 80 Å and at a depth of 6 Å.Pile-up patterns were found to be dependent on the crystal surface orientation. Noevidence of the activation of slip systems was discovered. The relative values ofthe contact pressure and Young’s modulus were in reasonable agreement withexperiment and the coefficient of friction was found to be independent of theTiO2 polymorph.
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