Molecular dynamic modeling of structure and properties of SiO$_{2}$ glass substrate in a broad temperature range
Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika, Tome 14 (2022) no. 4, pp. 65-73
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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 SiO$_{2}$ 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 SiO$_{2}$ 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.
Keywords:
molecular dynamics, silicon dioxide, Lennard-Jones potential, glass substrate.
@article{VYURM_2022_14_4_a8,
author = {P. I. Chernovol and A. A. Mirzoev},
title = {Molecular dynamic modeling of structure and properties of {SiO}$_{2}$ glass substrate in a broad temperature range},
journal = {Vestnik \^U\v{z}no-Uralʹskogo gosudarstvennogo universiteta. Seri\^a, Matematika, mehanika, fizika},
pages = {65--73},
publisher = {mathdoc},
volume = {14},
number = {4},
year = {2022},
language = {ru},
url = {http://geodesic.mathdoc.fr/item/VYURM_2022_14_4_a8/}
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P. I. Chernovol; A. A. Mirzoev. Molecular dynamic modeling of structure and properties of SiO$_{2}$ glass substrate in a broad temperature range. Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika, Tome 14 (2022) no. 4, pp. 65-73. http://geodesic.mathdoc.fr/item/VYURM_2022_14_4_a8/