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Constraints on lower mantle composition from molecular dynamics simulations of MgSiO3 perovskite

✍ Scribed by Frederic C Marton; Ronald E Cohen

Book ID
117196611
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
244 KB
Volume
134
Category
Article
ISSN
0031-9201

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Thermodynamic properties of MgSiO3perovs
Thermodynamic properties of MgSiO3perovskite derived from large scale molecular dynamics simulations
✍ BjΓΆrn Winkler; Martin T. Dove πŸ“‚ Article πŸ“… 1992 πŸ› Springer-Verlag 🌐 English βš– 954 KB

A molecular dynamics simulation study of MgSiO3 has been performed using a large sample containing 4096 unit cells. Thermodynamic properties have been extracted using a semiclassical approximation to the correct quantum mechanical treatment, using the calculated density of states and the quantum har