典型文献
Lattice Thermal Conductivity of MgSiO3 Perovskite and Post-Perovskite under Lower Mantle Conditions Calculated by Deep Potential Molecular Dynamics
文献摘要：
Lattice thermal conductivity(κlat)of MgSiO3 perovskite and post-perovskite is an important parameter for the thermal dynamics in the Earth.Here,we develop a deep potential of density functional theory quality under entire thermodynamic conditions in the lower mantle,and calculate the κlat by the Green-Kubo relation.Deep potential molecular dynamics captures full-order anharmonicity and considers ill-defined phonons in low-κlat materials ignored in the phonon gas model.The κlat shows negative temperature dependence and positive linear pressure dependence.Interestingly,the κlat undergos an increase at the phase boundary from perovskite to post-perovskite.We demonstrate that,along the geotherm,the κlat increases by 18.2％at the phase boundary.Our results would be helpful for evaluating Earth's thermal dynamics and improving the Earth model.
文献关键词：
中图分类号：
作者姓名：
Fenghu Yang;Qiyu Zeng;Bo Chen;Dongdong Kang;Shen Zhang;Jianhua Wu;Xiaoxiang Yu;Jiayu Dai
作者机构：
Department of Physics,National University of Defense Technology,Changsha 410003,China
文献出处：
引用格式：
[1]Fenghu Yang;Qiyu Zeng;Bo Chen;Dongdong Kang;Shen Zhang;Jianhua Wu;Xiaoxiang Yu;Jiayu Dai-.Lattice Thermal Conductivity of MgSiO3 Perovskite and Post-Perovskite under Lower Mantle Conditions Calculated by Deep Potential Molecular Dynamics)[J].中国物理快报（英文版）,2022(11):46-55
A类：
undergos
B类：
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0.600627
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