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Instantaneous structure of an MgSiO3 melt simulated by molecular dynamics

✍ Scribed by Matsui, Yoshito; Kawamura, Katsuyuki

Book ID
109718921
Publisher
Nature Publishing Group
Year
1980
Tongue
English
Weight
219 KB
Volume
285
Category
Article
ISSN
0028-0836

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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