Molecular Dynamics Simulation of Laser Induced Heating of Silicon Dioxide Thin Films

The full-atomistic classical molecular dynamics simulation of the laser heating of silicon dioxide thin films is performed. Both dense isotropic films and porous anisotropic films are investigated. It is assumed that heating occurs due to nodal structural defects, which are currently considered one...

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Main Authors:	Fedor Vasilievich Grigoriev, Vladimir Borisovich Sulimov, Alexander Vladimirovich Tikhonravov
Format:	article
Language:	EN
Published:	MDPI AG 2021
Subjects:	thin films molecular dynamics silicon dioxide films laser induced damage Chemistry QD1-999
Online Access:	https://doaj.org/article/0166a02b4f70479d99177fbc036b3552
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spelling	oai:doaj.org-article:0166a02b4f70479d99177fbc036b35522021-11-25T18:31:26ZMolecular Dynamics Simulation of Laser Induced Heating of Silicon Dioxide Thin Films10.3390/nano111129862079-4991https://doaj.org/article/0166a02b4f70479d99177fbc036b35522021-11-01T00:00:00Zhttps://www.mdpi.com/2079-4991/11/11/2986https://doaj.org/toc/2079-4991The full-atomistic classical molecular dynamics simulation of the laser heating of silicon dioxide thin films is performed. Both dense isotropic films and porous anisotropic films are investigated. It is assumed that heating occurs due to nodal structural defects, which are currently considered one of the possible causes of laser induced damage. It is revealed that heating to a temperature of 1000 K insignificantly affects the structure of the films and the concentration of point defects responsible for the radiation absorption. An increase in the heating temperature to 2000 K leads to the growth of the concentration of these defects. For “as deposited” films, this growth is greater in the case of a porous film deposited at a high deposition angle. Annealing of film reduces the difference in the concentration of laser induced defects in dense and porous films. The possible influence of optical active defects arising due to heating on the laser induced damage threshold is discussed.Fedor Vasilievich GrigorievVladimir Borisovich SulimovAlexander Vladimirovich TikhonravovMDPI AGarticlethin filmsmolecular dynamicssilicon dioxide filmslaser induced damageChemistryQD1-999ENNanomaterials, Vol 11, Iss 2986, p 2986 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	thin films molecular dynamics silicon dioxide films laser induced damage Chemistry QD1-999
spellingShingle	thin films molecular dynamics silicon dioxide films laser induced damage Chemistry QD1-999 Fedor Vasilievich Grigoriev Vladimir Borisovich Sulimov Alexander Vladimirovich Tikhonravov Molecular Dynamics Simulation of Laser Induced Heating of Silicon Dioxide Thin Films
description	The full-atomistic classical molecular dynamics simulation of the laser heating of silicon dioxide thin films is performed. Both dense isotropic films and porous anisotropic films are investigated. It is assumed that heating occurs due to nodal structural defects, which are currently considered one of the possible causes of laser induced damage. It is revealed that heating to a temperature of 1000 K insignificantly affects the structure of the films and the concentration of point defects responsible for the radiation absorption. An increase in the heating temperature to 2000 K leads to the growth of the concentration of these defects. For “as deposited” films, this growth is greater in the case of a porous film deposited at a high deposition angle. Annealing of film reduces the difference in the concentration of laser induced defects in dense and porous films. The possible influence of optical active defects arising due to heating on the laser induced damage threshold is discussed.
format	article
author	Fedor Vasilievich Grigoriev Vladimir Borisovich Sulimov Alexander Vladimirovich Tikhonravov
author_facet	Fedor Vasilievich Grigoriev Vladimir Borisovich Sulimov Alexander Vladimirovich Tikhonravov
author_sort	Fedor Vasilievich Grigoriev
title	Molecular Dynamics Simulation of Laser Induced Heating of Silicon Dioxide Thin Films
title_short	Molecular Dynamics Simulation of Laser Induced Heating of Silicon Dioxide Thin Films
title_full	Molecular Dynamics Simulation of Laser Induced Heating of Silicon Dioxide Thin Films
title_fullStr	Molecular Dynamics Simulation of Laser Induced Heating of Silicon Dioxide Thin Films
title_full_unstemmed	Molecular Dynamics Simulation of Laser Induced Heating of Silicon Dioxide Thin Films
title_sort	molecular dynamics simulation of laser induced heating of silicon dioxide thin films
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/0166a02b4f70479d99177fbc036b3552
work_keys_str_mv	AT fedorvasilievichgrigoriev moleculardynamicssimulationoflaserinducedheatingofsilicondioxidethinfilms AT vladimirborisovichsulimov moleculardynamicssimulationoflaserinducedheatingofsilicondioxidethinfilms AT alexandervladimirovichtikhonravov moleculardynamicssimulationoflaserinducedheatingofsilicondioxidethinfilms
_version_	1718410994858852352

Molecular Dynamics Simulation of Laser Induced Heating of Silicon Dioxide Thin Films

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