Molecular-dynamics study of amorphous SiO{sub 2} relaxation

Using Molecular-Dynamics simulation we observed the generation of amorphous SiO{sub 2} target from a randomly distributed Si and O atoms. We applied a sequence of annealing of the target with various temperature and quenching to room temperature. The relaxation time required by the system to form Si...

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Bibliographic Details
Published in:AIP conference proceedings 2015-09, Vol.1677 (1)
Main Authors: Fadhilah, Irfan Muhammad, Rosandi, Yudi
Format: Article
Language:English
Subjects:
AMORPHOUS STATE
ANNEALING
ARRHENIUS EQUATION
ATOMS
CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
COMPARATIVE EVALUATIONS
MOLECULAR DYNAMICS METHOD
MOLECULES
QUENCHING
RANDOMNESS
RELAXATION TIME
SILICA
SILICON OXIDES
SPATIAL DISTRIBUTION
TEMPERATURE DEPENDENCE
TEMPERATURE RANGE 0273-0400 K
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Summary:Using Molecular-Dynamics simulation we observed the generation of amorphous SiO{sub 2} target from a randomly distributed Si and O atoms. We applied a sequence of annealing of the target with various temperature and quenching to room temperature. The relaxation time required by the system to form SiO{sub 4} tetrahedral mesh after a relatively long simulation time, is studied. The final amorphous target was analyzed using the radial distribution function method, which can be compared with the available theoretical and experimental data. We found that up to 70% of the target atoms form the tetrahedral SiO{sub 4} molecules. The number of formed tetrahedral increases following the growth function and the rate of SiO{sub 4} formation follows Arrhenius law, depends on the annealing temperature. The local structure of amorphous SiO{sub 2} after this treatment agrees well with those reported in some literatures.
ISSN:0094-243X
1551-7616
DOI:10.1063/1.4930744