Study of magnetite, franklinite and gahnite at high pressure and high temperature
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چکیده
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Ab initio molecular dynamic (AIMD) simulations were performed to calculate the equation of state (EOS) of CaSiO3 perovskite at mantle pressure–temperature conditions. At temperatures above 2000 K, even though the hydrostatic crystal structure is metrically tetragonal in the pressure range of 13–123 GPa, the symmetry of the elastic moduli is consistent with cubic symmetry. Our results show that ...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2015
ISSN: 2053-2733
DOI: 10.1107/s2053273315094462