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High-performance Atomistic Simulation of the Deposition of TiO2−SiO2 Thin Filmsстатья
Статья опубликована в журнале из списка RSCI Web of Science
Статья опубликована в журнале из перечня ВАКСтатья опубликована в журнале из списка Web of Science и/или Scopus
- Авторы: Grigoriev F.V., Sulimov V.B., Tikhonravov A.V.
- Журнал: Lobachevskii Journal of Mathematics
- Том: 45
- Номер: 7
- Год издания: 2024
- Издательство: Kazanskii Gosudarstvennyi Universitet/Kazan State University
- Местоположение издательства: Russian Federation
- Первая страница: 3063
- Последняя страница: 3071
- Аннотация: Abstract—The model for high-performance molecular dynamics simulation of TiO2−SiO2 thin films is proposed. This model allows us to consider both low-energy and high-energy thin film deposition processes. In connection with practical demands, special attention is paid to the properties of the transition regions between the TiO2 and SiO2 layers. It has been established that the concentration of some types of point defects in the transition region is approximately two times higher than in the depth of the layer. The effect of annealing on the concentration of defects is studied. A way to increase the computational efficiency of the modeling procedure is proposed.
- Добавил в систему: Григорьев Федор Васильевич