Application of a large-scale molecular dynamics approach to modelling the deposition of TiO2 thin filmsстатья
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Дата последнего поиска статьи во внешних источниках: 9 апреля 2021 г.
Аннотация:Abstract: The previously developed large-scale molecular dynamics approach is applied to high-performance parallel modelling the deposition of TiO2 thin films. The largest simulated clusters reach 40 nm in size with about two million atoms. The surface roughness and porosity of normally deposited films with a flux of high and low energy atoms for cold and hot substrates are investigated. The formation of separate nanostructures in high-energy glancing angle deposited films is studied. The averaged structural parameters of the elongated pores in these films are determined using the original Monte Carlo based method. The difference between the main components of the refractive index tensor of glancing angle deposited TiO2 thin films is calculated