气候变化领域集成服务门户(CCPortal): Ab Initio Study on the Lower Mantle Minerals

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DOI	10.1146/annurev-earth-071719-055139
	Ab Initio Study on the Lower Mantle Minerals
	Tsuchiya T.; Tsuchiya J.; Dekura H.; Ritterbex S.
发表日期	2020
ISSN	0084-6597
起始页码	99
结束页码	119
卷号	48
英文摘要	Recent progress in theoretical mineral physics based on the ab initio quantum mechanical computation method has been dramatic in conjunction with the rapid advancement of computer technologies. It is now possible to predict stability, elasticity, and transport properties of complex minerals quantitatively with uncertainties that are comparable to or even smaller than those attached in experimental data. These calculations under in situ high-pressure (P) and high-temperature conditions are of particular interest because they allow us to construct a priori mineralogical models of the deep Earth. In this article, we briefly review recent progress in studying high-P phase relations, elasticity, thermal conductivity, and rheological properties of lower mantle minerals including silicates, oxides, and some hydrous phases. Our analyses indicate that the pyrolitic composition can describe Earth's properties quite well in terms of density and P- and S-wave velocity. Computations also suggest some new hydrous compounds that could persist up to the deepest mantle and that the postperovskite phase boundary is the boundary of not only the mineralogy but also the thermal conductivity. The ab initio method is a strong tool to investigate physical properties of minerals under high pressure and high temperature. Calculated thermoelasticity indicates that the pyrolytic composition is representative to the chemistry of Earth's lower mantle. Simulations predict new dense hydrous phases stable in the whole lower mantle pressure and temperature condition. Calculated lattice thermal conductivity suggests a heat flow across the core mantle boundary no greater than 10 TW. © Copyright 2020 by Annual Reviews. All rights reserved.
关键词	Calculations Elasticity Minerals Quantum theory Shear waves Silicates Thermoelectricity Wave propagation High pressure and high temperature High temperature condition Lattice thermal conductivity Lower mantle pressures P- and S-wave velocities Pyrolitic composition Quantum mechanical computations Rheological property Thermal conductivity computer simulation core-mantle boundary experimental study heat flow lower mantle mineral quantum mechanics thermal conductivity uncertainty analysis Calluna vulgaris
语种	英语
来源机构	Annual Review of Earth and Planetary Sciences
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/131908
推荐引用方式 GB/T 7714	Tsuchiya T.,Tsuchiya J.,Dekura H.,et al. Ab Initio Study on the Lower Mantle Minerals[J]. Annual Review of Earth and Planetary Sciences,2020,48.
APA	Tsuchiya T.,Tsuchiya J.,Dekura H.,&Ritterbex S..(2020).Ab Initio Study on the Lower Mantle Minerals.,48.
MLA	Tsuchiya T.,et al."Ab Initio Study on the Lower Mantle Minerals".48(2020).