Bridgmanite
MgSiO3
unknown · Original · 2006
V₀
24.414
cm³/mol
Molar
K₀
—
K′
—
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 24.414 | cm³/mol | Molar | — |
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
- 300 K
- Pref
- —
- Structure
- perovskite (unspecified)
- Method
- molecular dynamicsmolecular dynamics simulation with effective pair potentials (Matsui potential)
- Sample
- MD simulation cell (360 particles: 72 Mg, 72 Si, 216 O)
Source
- Paper
- Simulation of Melting Behavior of the MgSiO3 Perovskite Under Lower Mantle Cond…
- Authors
- Zi‐Jiang Liu; Xiao Wei Sun; Yang Xiang-Dong; Xinlu Cheng; Yundong Guo
- DOI
- 10.1360/cjcp2006.19(4).311.4
- Year
- 2006
- Journal
- Chinese Journal of Chemical Physics
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
The simulated molar volume V0 (=24.414 cm3/mol) agrees well with the results of Yeganeh-Haeri [16] (within 0.1%) under 300 K at zero pressure.
Additional notes
note
V0 obtained from MD simulation at 300 K and zero pressure; no explicit analytical EOS form (e.g. Birch-Murnaghan) stated. Simulated P-V relation at 300 K agrees with experimental data over >100 GPa range (Fig. 1).