Polyamorphism in the silica glass

Polyamorphism in the silica glass

A molecular dynamics (MD) simulation has been carried out to explore the polymorphic states of silica glass under ambient pressure. We show for the first time that the simulated glass is composed of atomic clusters of type C 4, C 5 and C 6. Densification is performed via gradual variation in the vol...

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Veröffentlicht in:Scripta materialia 2010-07, Vol.63 (1), p.12-15
Hauptverfasser: Hung, P.K., Nhan, N.T.
Format: Artikel
Sprache:eng
Schlagworte:
Atomic clusters
Cluster
Clusters
Computer simulation
Densification
Glass
Mathematical models
Molecular dynamics
Silica
Silica glass
Simulation
Void
Voids
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Zusammenfassung:A molecular dynamics (MD) simulation has been carried out to explore the polymorphic states of silica glass under ambient pressure. We show for the first time that the simulated glass is composed of atomic clusters of type C 4, C 5 and C 6. Densification is performed via gradual variation in the volume of those clusters. The total volume of the MD model and the void volume are found to be a linear function of the fraction of SiO x units with x = 4, 5 and 6.
ISSN:1359-6462
1872-8456
DOI:10.1016/j.scriptamat.2010.02.036