https://doi.org/10.26089/NumMet.v27r439

Supercomputer modeling of stresses in thin optical films at different substrate temperatures

Authors

  • Fedor V. Grigoriev
  • Vladimir B. Sulimov
  • Alexander V. Tikhonravov

Keywords:

atomistic modeling
thin films
high-performance computing
stress in thin films

Abstract

In this paper supercomputer simulations of mechanical stresses in thin silicon dioxide and titanium dioxide films at various deposition temperatures are performed using molecular dynamics. Stress calculations require large atomic clusters, which necessitates the use of parallel computing technologies. It is shown that the type and value of stresses depend significantly on the film material, substrate temperature, and the energy of the deposited atoms. An analysis of the numerical efficiency of supercomputer calculations is performed with taking into account the large size of the atomic simulation box and methods for its improvement are also proposed.


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Published

2026-10-21

Issue

Vol. 27 (2026): Issue 4.

Section

Methods and algorithms of computational mathematics and their applications

Authors

Fedor V. Grigoriev

Lomonosov Moscow State University, Research Computing Center

• Leading Researcher

Vladimir B. Sulimov

Lomonosov Moscow State University, Research Computing Center

• Head of Laboratory

Alexander V. Tikhonravov

Lomonosov Moscow State University, Research Computing Center

• Head of Laboratory

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