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Multiscale modelling of nanoindentation of multi-layered systems

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posted on 20.09.2018, 14:21 by Ismail Gheewala
This thesis presents molecular dynamics simulations of nanoindentation and nanoscratching simulations on a number of oxide. materials. In particular, the oxides studied are used as thin films in optical coatings. These films provide a variety of different functionalities, including reducing infra-red transmission through the glass to lower the heating and cooling costs for buildings. Simulations are performed initially on magnesium oxide, which is studied as a test material due to the simple structure. Simulations are then performed on the rutile and anatase polymorphs of titanium dioxide, which are used in the anti-reflective and self-cleaning part of the coatings, respectively. Finally, simulations are performed into zinc oxide and a silver layer sandwiched between two zinc oxide layers. This multi-layered stack represents the typical structure of the energy saving part of the coatings. Mechanical properties of the thin films have been calculated and compared with experiment. Generally, there is a good level of agreement between the modelling and the experiments. Deformation mechanisms in the different systems have been identified so as to help understand the failure mechanisms in these coatings.


EPSRC. Pilkington Glass Ltd. Applied Multilayers Ltd.



  • Science


  • Mathematical Sciences


© Ismail Gheewala

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A Doctoral Thesis. Submitted in partial fulfilment of the requirements for the award of Doctor of Philosophy at Loughborough University.



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