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Annealing of deposited films is widely used to improve the quality of optical thin films. Atomistic modeling of this process allows studying changes in the film structure due to annealing. Such simulations require large atomistic clusters and can only be performed using parallel computing technologies. In this paper, we simulate the annealing of Ta2O5 thin films. Changes in the density profiles, porosity, and coordination numbers of atoms due to annealing are revealed and discussed. The efficiency of large-scale high-performance annealing simulation is analyzed.

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High-Performance Atomistic Simulation of the Annealing of Ta2O5 Thin Films

  • 会议论文

  • 发表日期：

    2026年

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  • Fedor Grigoriev,
  • Vladimir Sulimov,
  • Alexander Tikhonravov

摘要

Annealing of deposited films is widely used to improve the quality of optical thin films. Atomistic modeling of this process allows studying changes in the film structure due to annealing. Such simulations require large atomistic clusters and can only be performed using parallel computing technologies. In this paper, we simulate the annealing of Ta2O5 thin films. Changes in the density profiles, porosity, and coordination numbers of atoms due to annealing are revealed and discussed. The efficiency of large-scale high-performance annealing simulation is analyzed.