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Science 26 October 1990:
Vol. 250. no. 4980, pp. 541 - 543
DOI: 10.1126/science.250.4980.541
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Articles

A Novel Topological Compression Mechanism in a Covalent Liquid

Lars Stixrude 1 and M. S. T. Bukowinski 1

1 Department of Geology and Geophysics, University of California, Berkeley, CA 94720

Monte Carlo simulations of tetrahedrally bonded SiO2 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.


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