Molecular Dynamic Modeling of Structure and Properties of SiO2 Glass Substrate in a Broad Temperature Range

Authors

  • Pavel Ivanovich Chernovol South Ural State University, Chelyabinsk
  • Alexander Aminulaevich Mirzoev South Ural State University, Chelyabinsk

DOI:

https://doi.org/10.14529/mmph220409

Keywords:

molecular dynamics, silicon dioxide, Lennard-Jones potential, glass substrate

Abstract

F.V. Grigoriev's paper “Force Fields for Molecular-Dynamic Modeling of Sputter Deposition Process on Silicon Dioxide Film”, proposes a simple DESIL inter-ion potential for modeling amorphous SiO2 substrates widely used for thin film sputter deposition. This potential provides an important advantage when compared with popular potential of BKS due to the absence of a non-physical attraction region at short distances between particles. This is important when simulating SiO2 substrate sputtering where collisions between particles result in short-range proximity. In this case an artifact of particle inter-capture may be observed which distorts the simulation results. The purpose of this work is to demonstrate the potential for predicting the structural and thermodynamic characteristics of amorphous silicate glasses over a broad temperature range.

Author Biographies

Pavel Ivanovich Chernovol, South Ural State University, Chelyabinsk

4th-year student of the specialty “Electronics and Nanoelectronics”, Department of Physics of Nanoscale Systems

Alexander Aminulaevich Mirzoev, South Ural State University, Chelyabinsk

Dr. Sc. (Physics and Mathematics), Senior Staff Scientist, Professor Physics of Nanoscale System Department

Published

2022-11-07

Issue

Section

Physics