Bridgmanite
MgSiO3
third-order Birch-Murnaghan · Original · 2000
V₀
—
Unit cell
K₀
271
GPa
Isothermal
K′
4.400
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| — | — | Unit cell | — |
Reported value and unit are preserved as extracted. Z (formula units per cell) is not stored yet, so molar ↔ ų/f.u. conversion is not applied automatically.
Composition
| Oxide | Molar |
|---|---|
| MgO | 1 |
| SiO2 | 1 |
Formula: MgSiO3
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- perovskite (unspecified)
- Method
- molecular dynamicsmolecular dynamics simulation (NPT ensemble), unit cell volumes fitted by third-order Birch-Murnaghan EOS
- Sample
- MD simulation cell of 48 unit cells (960 particles: 576 Si, 192 Mg, 192 O)
Source
- Paper
- Molecular Dynamics(MD) simulation of the elasticity of MgSiO3 perovskite and th…
- Authors
- Yoshiki HAMAHATA; Eiji Ohtani; Katsuyuki Kawamura
- DOI
- 10.2465/jmps.95.236
- Year
- 2000
- Journal
- Journal of Mineralogical and Petrological Sciences
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
The unit cell volumes at high pressures are fitted by the third-order Birch-Murnaghan equation of state ... The calculated values of ρ0, K_T0 and K'_T0 using our energy parameters are 4.030 g/cm³, 271 GPa and 4.4 respectively.
Additional notes
rho0
4.030 g/cm3 (zero-pressure density used in EOS fit in place of V0)
Ks zero pressure from elastic constants
275 GPa (Table 2, VRH average, adiabatic)
G zero pressure
165 GPa (Table 2)
note
V0 not reported as volume; density rho0 reported instead. Energy parameters determined in this work (Table 1).