Computational model of the structural and elastic properties of the ilmenite and perovskite phases of MgSiO3

Physics and Chemistry of Minerals

Volumn 14, Issue 2, 1987, Pages 101-106

  Matsui, Masanori ^a   Akaogi, Masaki ^b   Matsumoto, Takeo ^b  

^a KANAZAWA MEDICAL UNIVERSITY   (Japan)

^b KANAZAWA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0023120777     PISSN: 03421791     EISSN: 14322021     Source Type: Journal    
DOI: 10.1007/BF00308213     Document Type: Article

References (37)

1. Pyroxene-garnet solid-solution equilibria in the systems Mg4Si4O12-Mg3Al2Si3O12 and Fe4Si4O12-Fe3Al2Si3O12 at high pressures and temperatures
2. Elasticity of single-crystal SmAlO3, GdAlO3 and ScAlO3 perovskites
3. Parameter-free equation-of-state calculations for CsCaF3
4. The application of external forces to computational models of crystals
5. Soft-sphere model for closed-shell atoms and ions
6. Simple ways of determining perovskite structures
7. Theory for the forces between closed-shell atoms and molecules
8. Bulk modulus-volume relationship for cation-anion polyhedra
9. A crystal chemical study of stishovite
10. MgSiO3 (ilmenite-type): single crystal X-ray diffraction study
11. Synthesis and crystal-chemical characterization of MgSiO3 perovskite
12. Stability relations of silicate spinels, ilmenites, and perovskites
13. Thermal expansion of silicate perovskite and stratification of the Earth's mantle
14. Elasticity of aluminate, titanate, stannate and germanate compounds with the perovskite structure
15. Computational modeling of the structure and elastic constants of the olivine and spinel forms of Mg2SiO4
16. Calculation of the elastic constants and high-pressure properties of diopside, CaMgSi2O6
17. Crystal structure and elastic constants of β-Mg2SiO4 under high pressure simulated from a potential model
18. Computer simulation of structures of silicate melts and glasses
19. An interpretation of the structures of mantle minerals at high pressure in terms of interionic forces
20. An attempt to simulate high pressure structures of Mg-silicates by an energy minimization method
21. Computer simulations of the structural and physical properties of the olivine and spinel polymorphs of Mg2SiO4
22. The energetics of polytypic structures: a computer simulation of magnesium silicate spinelloids
23. Single crystal analysis of the structure of stishovite
24. Scaled electron gas approximation for intermolecular forces
25. The single-crystal elastic moduli of stishovite
26. Elasticity of MgSiO3 in the ilmenite phase
27. Ab initio structural and thermoelastic properties of orthorhombic MgSiO3 perovskite
28. Lattice dynamics and structural distortions of CaSiO3 and MgSiO3 perovskites
29. Structure and crystal chemistry of perovskite-type MgSiO3
30. Hydrostatic compression of perovskite-type MgSiO3