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Molecular dynamics simulation of stresses in SiO2, TiO2 and TiO2-SiO2 films is performed using parallel computations. The stresses arising in deposited thin film are calculated under various deposition conditions, including the energy of the Si and Ti atoms and the substrate temperature. It is found that SiO2 films have a negative (compressive) stress, while TiO2 films have a positive (tensile) stress. Deposition of a SiO2 film over a TiO2 film results to a decrease in the absolute stress values. At the same time, the stresses remain tensile. Changes in stress when the film is heated are also studied.

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Stresses in Thin Optical Films: Results of High-Performance Atomistic Simulation

  • 会议论文

  • 发表日期：

    2025年

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  • Fedor Grigoriev,
  • Vladimir Sulimov,
  • Alexander Tikhonravov

摘要

Molecular dynamics simulation of stresses in SiO2, TiO2 and TiO2-SiO2 films is performed using parallel computations. The stresses arising in deposited thin film are calculated under various deposition conditions, including the energy of the Si and Ti atoms and the substrate temperature. It is found that SiO2 films have a negative (compressive) stress, while TiO2 films have a positive (tensile) stress. Deposition of a SiO2 film over a TiO2 film results to a decrease in the absolute stress values. At the same time, the stresses remain tensile. Changes in stress when the film is heated are also studied.