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Theoretical model for the high-pressure melting process of MgO with the B1 structure
被引:12
|作者:
Cuong, Tran Dinh
[1
]
Phan, Anh D.
[1
,2
]
机构:
[1] Phenikaa Univ, Fac Mat Sci & Engn, Hanoi 12116, Vietnam
[2] Phenikaa Univ, Phenikaa Inst Adv Study PIAS, Hanoi 12116, Vietnam
来源:
关键词:
Melting behavior;
Bulk modulus;
High pressure;
MgO;
MOLECULAR-DYNAMICS;
LOWER MANTLE;
COMPRESSION;
TEMPERATURE;
ELASTICITY;
TRANSITION;
CRYSTAL;
CURVE;
SCALE;
D O I:
10.1016/j.vacuum.2021.110231
中图分类号:
T [工业技术];
学科分类号:
08 ;
摘要:
MgO is an abundant mineral in the rocky mantle of terrestrial planets, but its melting behaviors remain enigmatic. Here we introduce a simple theoretical model to investigate the B1-liquid transition of MgO up to 370 GPa. Vibrational free energies of B1-MgO are fully computed by the moment recurrence technique in quantum statistical physics. On that basis, we associate the melting temperature with the isothermal bulk modulus via the work-heat equivalence principle. This strategy allows us to quantitatively explain recent experimental data. Our numerical analyses would yield insights into planetary dynamics and evolution.
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页数:4
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