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Compression of tetrahedrally bonded SiO2 liquid and silicate liquid‐crystal density inversion

Stixrude, L; Bukowinski, MST; (1989) Compression of tetrahedrally bonded SiO2 liquid and silicate liquid‐crystal density inversion. Geophysical Research Letters , 16 (12) 1403 - 1406. 10.1029/GL016i012p01403. Green open access

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Abstract

We have investigated the response to pressure of liquid SiO2 by performing a quantitatively realistic Monte Carlo simulation. The model liquid was restricted to at most four‐fold Si‐O coordination by the effective imposition of an infinite potential barrier to a fifth bond. We thus obtained an unambiguous comparison of the compression mechanisms of solid and liquid tetrahedral networks. In spite of this restriction, the density of the simulated liquid exceeds that of the corresponding models of quartz, coesite and cristobalite at high pressure. The efficient compression of the liquid results from a continuous restructuring of the network that leaves the mean Si‐Si distance virtually unchanged and does not require an increase in the coordination number. The restructuring is effected by local breaking and reconnecting of bonds, a mechanism that is not available to a perfect crystal.

Type: Article
Title: Compression of tetrahedrally bonded SiO2 liquid and silicate liquid‐crystal density inversion
Open access status: An open access version is available from UCL Discovery
DOI: 10.1029/GL016i012p01403
Publisher version: http://dx.doi.org/10.1029/GL016i012p01403
Language: English
Additional information: Copyright 1989 by the American Geophysical Union
UCL classification: UCL
UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Earth Sciences
URI: https://discovery.ucl.ac.uk/id/eprint/88511
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