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Equations of state of MgSiO3-perovskite and MgO (periclase) from computer simulations

✍ Scribed by Anatoly B. Belonoshko; Leonid S. Dubrovinsky


Book ID
117196838
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
649 KB
Volume
98
Category
Article
ISSN
0031-9201

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The relative stability of MgSiO3-ilmenite , MgSiO3-perovskite and (periclase+stishovite) assemblage phases as a function of the pressure is investigated with the periodic quantum mechanical ab initio Hartree-Fock program CRYSTAL. For the first time, the structure of MgSiO3-ilmenite is fully optimize