Pressure-induced Structural Transformations in Framework Crystal Structures
- 1 May 1991
- journal article
- research article
- Published by Taylor & Francis in Molecular Simulation
- Vol. 6 (4), 227-238
- https://doi.org/10.1080/08927029108022431
Abstract
Pressure-induced structural transformation of polymorphs of silica (SiO2) at room temperature is studied with the molecular dynamics method. Novel structural transitions are predicted in which the tetrahedral coordination of silicon to oxygen collectively collapses into an octahedral coordination without breaking any Si-O bonds. The relation between such transformations and the atomic diffusion in the liquid phase is briefly discussed.Keywords
This publication has 19 references indexed in Scilit:
- A new, post-stishovite highpressure polymorph of silicaNature, 1989
- New pressure-induced structural transformations in silica obtained by computer simulationNature, 1989
- Theoretical evidence for a new ultra-high-pressure phase of SiO2Nature, 1988
- First-Principles Interatomic Potential of Silica Applied to Molecular DynamicsPhysical Review Letters, 1988
- Pressure-induced amorphization of crystalline silicaNature, 1988
- Spectroscopic Evidence for Pressure-Induced Coordination Changes in Silicate Glasses and MeltsScience, 1988
- On the nature of pressure‐induced coordination changes in silicate melts and glassesGeophysical Research Letters, 1987
- ‘Melting ice’ I at 77 K and 10 kbar: a new method of making amorphous solidsNature, 1984
- Interatomic potentials for SiO2Journal of the Chemical Society, Chemical Communications, 1984
- A crystal chemical study of stishoviteJournal of Solid State Chemistry, 1983