A Novel Topological Compression Mechanism in a Covalent Liquid

Monte Carlo simulations of tetrahedrally bonded SiO$_2$ liquid show that pressure induces large changes in the topology of its four-coordinated framework structure but leaves the average properties of local coordination environments virtually unchanged. Ring statistics are used to describe the liqui...

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Veröffentlicht in:Science (American Association for the Advancement of Science) 1990-10, Vol.250 (4980), p.541-543
Hauptverfasser: Stixrude, Lars, Bukowinski, M. S. T.
Format: Artikel
Sprache:eng
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Zusammenfassung:Monte Carlo simulations of tetrahedrally bonded SiO$_2$ liquid show that pressure induces large changes in the topology of its four-coordinated framework structure but leaves the average properties of local coordination environments virtually unchanged. Ring statistics are used to describe the liquid's topology; the observed changes paradoxically indicate that the liquid compresses primarily by increasing the size of its rings. A theory for the effects of ring formation on density, which also explains the density of crystalline tectosilicates, accounts for the compression of the liquid.
ISSN:0036-8075
1095-9203
DOI:10.1126/science.250.4980.541