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Please use this identifier to cite or link to this item: https://dspace.lboro.ac.uk/2134/11628

Title: Atomistic-scale modelling of nanoindentation into optical coatings
Authors: Gheewala, Ismail
Kenny, Steven D.
Smith, Roger
Keywords: Coatings
Metals on oxides
Molecular dynamic simulations
Multiscale modelling
Issue Date: 2009
Publisher: © Taylor & Francis
Citation: GHEEWALA, I., KENNY, S.D. and SMITH, R., 2009. Atomistic-scale modelling of nanoindentation into optical coatings. Philosophical Magazine, 89 (34-36), pp. 3499 - 3510.
Abstract: Simulations of nanoindentation into a typical optical-coatings stack employed in energy efficient glazing have been performed using classical molecular dynamics (MD) and a coupled finite element/MD methodology. The coatings stack consists of a low-emissivity material, Ag, sandwiched between two layers of a transparent conducting oxide (TCO), ZnO. Simulations into both the ZnO and the coatings stack show a strong interaction between the tip symmetry and crystal symmetry in the observed displacement field. A large amount of elastic recovery is observed for both the ZnO system and the coatings stack, but with an impression left on the surface that looks like a crack but extends no further than the tip imprint at maximum depth. The full stack is observed to have a lower hardness once there is a significant penetration of the displacement field into the Ag, when compared to the pure ZnO system. A comparison between the coupled finite element/MD methodology and the fixed boundary MD-only model shows that the boundary conditions have little influence on the calculated results.
Description: This paper was published in the Philosophical Magazine [© Taylor & Francis] and the definitive version is available at: http://dx.doi.org/10.1080/14786430903321412
Version: Accepted for publication
DOI: 10.1080/14786430903321412
URI: https://dspace.lboro.ac.uk/2134/11628
Publisher Link: http://dx.doi.org/10.1080/14786430903321412
ISSN: 1478-6435
Appears in Collections:Published Articles (Maths)

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