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Using density-functional theory, we computed all the independent elastic constants of coesite, a high-pressure polymorph of silica, as functions of pressure up to 15 GPa. The results are in good agreement with experimental measurements under ambient conditions. Also, the predicted pressure-dependent elastic properties are consistent with x-ray data in the literature concerning lattice strains at high pressures. We find that coesite, like quartz, exhibits a gradual softening of a shear modulus B44 with increasing pressure, in contrast to the rising bulk modulus.
Ogata, S., Kimizuka, H., & Li, J. (2008). Hydrostatic compression and high-pressure elastic constants of coesite silica. Retrieved from https://repository.upenn.edu/mse_papers/145
Date Posted: 09 April 2008
This document has been peer reviewed.