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Elastic Tensor and Thermodynamic Property of Magnesium Silicate Perovskite from First-principles Calculations
Thermodynamic property Elastic property MgSiO3 perovskite
2012/4/5
The thermodynamic and elastic properties of magnesium silicate (MgSiO3) perovskite at high pressure are investigated with the quasi-harmonic Debye model and the first-principles method based on the de...
Calculated role of aluminum in the incorporation of ferric iron into magnesium silicate perovskite
Calculated role aluminum incorporation ferric iron magnesium silicate perovskite
2012/4/1
An atomistic computer simulation study was undertaken to address the role of Al in the substitution of ferric iron into magnesium silicate perovskite, MgSiO
3. Calculated substi-tution and vacancy en...