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Stishovite bulk modulus

Figure 2.15 Pressure-volume data for diamond, SiC>2-stishovite, MgSiC>3 and 8102-quartz based on third order Birch-Murnaghan equation of state descriptions. The isothermal bulk modulus at 1 bar and 298 K are given in the figure. Figure 2.15 Pressure-volume data for diamond, SiC>2-stishovite, MgSiC>3 and 8102-quartz based on third order Birch-Murnaghan equation of state descriptions. The isothermal bulk modulus at 1 bar and 298 K are given in the figure.
Bulk properties of an aggregate of stishovite crystals are also predicted to be substantially modified by the phase transition. These are obtained from the variations of the individual elastic constants using the average of Reuss and Voigt limits (Hill 1952, Watt 1979). The bulk modulus, K, is not sensitive to the transition but the shear modulus, G, is expected to show a large anomaly over a wide pressure interval (Fig. 17a). Consequently, the velocities of P and S waves should also show a large anomaly (Fig. 17b), with obvious implications for the contribution of stishovite to the properties of the earth s mantle if free silica is present (Carpenter et al. 2000a, Hemley et al. 2000). [Pg.57]

Figure 17. Variations of bulk properties derived from variations of the individual elastic constants of stishovite. (a) Bulk modulus (K) and shear modulus (G). Solid lines are the average of Reuss and Voigt limits the latter are shown as dotted lines (Voigt limit > Reuss limit), (b) Velocities of P (top) and S (lower) waves through a poly crystalline aggregate of stishovite. Circles indicate experimental values obtained by Li et al. (1996) at room pressure and 3GPa. After Carpenter et al. (2000a). Figure 17. Variations of bulk properties derived from variations of the individual elastic constants of stishovite. (a) Bulk modulus (K) and shear modulus (G). Solid lines are the average of Reuss and Voigt limits the latter are shown as dotted lines (Voigt limit > Reuss limit), (b) Velocities of P (top) and S (lower) waves through a poly crystalline aggregate of stishovite. Circles indicate experimental values obtained by Li et al. (1996) at room pressure and 3GPa. After Carpenter et al. (2000a).
The potential of Eq. (1) with parameters determined in Refs. [10, 11] was thoroughly tested in computer simulations of silica polymorphs. In Ref. [10], the structural parameters and bulk modulus of cc-quartz, a-cristobalite, coesite, and stishovite obtained from molecular dynamics computer simulations were found to be in good agreement with the experimental data. The a to / structural phase transition of quartz at 850 K ha.s also been successfully reproduced [12]. The vibrational properties computed with the same potential for these four polymorphs of crystalline silica only approximately reproduce the experimental data [9]. Even better results were reported in Ref. [5] where parameters of the two-body potential Eq. (1) were taken from Ref. [11]. It was found that the calculated static structures of silica polymorphs are in excellent agreement with experiments. In particular, with the pressure - volume equation of state for a -quartz, cristobalite, and stishovite, the pressure-induced amorphization transformation in a -quartz and the thermally induced a — j3 transformation in cristobalite are well reproduced by the model. However, the calculated vibrational spectra were only in fair agreement with experiments. [Pg.337]


See other pages where Stishovite bulk modulus is mentioned: [Pg.115]    [Pg.334]    [Pg.176]    [Pg.202]    [Pg.212]    [Pg.222]    [Pg.1096]    [Pg.115]   
See also in sourсe #XX -- [ Pg.374 ]




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