ИСТИНА

The results of atomistic modeling of the deposition of thin transparent films and the calculation of their structural and mechanical characteristics are presented. The simulation considers the physical vapor deposition method, including the ion assistance. The following deposition parameters are taken into account: the energy of deposited atoms, the deposition angle, the substrate temperature, and the flow parameters of high-energy assisting ions. The full-atomistic molecular dynamics method with empirical pairwise force field is used for the description of the interatomic interactions and moving of the atoms. The results describe the dependence of structural and mechanical characteristics, including density profiles, porosity, surface roughness, bulk modulus and others, from the mentioned above deposition parameters. As normal deposited and glancing angle deposited films are considered. The presented study is an important step in the development of predictive atomistic modeling of thin film deposition. The work was supported by the Russian Science Foundation (grant no. 23-11-00047)