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DOI	10.1016/j.epsl.2019.116009
	Chemical compositions of the outer core examined by first principles calculations
	Umemoto K.; Hirose K.
发表日期	2020
ISSN	0012821X
卷号	531
英文摘要	We have examined the density and bulk sound velocity of liquid iron alloys, (Fe, Ni)X(H, Si, O, S, C)1-X, at Earth's outer core pressure and temperature conditions based on first-principles molecular dynamics simulations. The nonideal mixing effects on volume and velocity were found to be negligible for all combinations of different liquid alloys examined. By comparing the results with seismological observations, we searched for possible chemical compositions for the outer core. Hydrogen is found to be a primary light element when the inner-core boundary temperature TICB is 4,800 K to 5,400 K. If this is the case, it is suggested that a large amount of water was delivered to the Earth during its accretionary stage and that the present-day core temperature is relatively low. On the other hand, oxygen is the most important light element if TICB = 6,000 K, consistent with the previous calculations by Badro et al. (2014) at TICB = 6,300 K. To further constrain the chemical composition of the outer core, it is necessary to take into account other constraints besides its density and bulk sound velocity; melting temperature, simultaneous solubilities of multiple of light elements, and so forth. © 2019 Elsevier B.V.
关键词	chemical composition first principles liquid under high pressure outer core
英文关键词	Acoustic wave velocity; Chemical elements; Geochemistry; Iron alloys; Liquids; Molecular dynamics; Chemical compositions; First principles; First principles molecular dynamics; First-principles calculation; High pressure; Inner core boundary; outer core; Pressure and temperature; Calculations; accretion; alloy; bulk density; chemical composition; geochemistry; hydrogen; outer core; P-T conditions
语种	英语
来源期刊	Earth and Planetary Science Letters
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/202941
作者单位	Earth-Life Science Institute, Tokyo Institute of Technology, Meguro, Tokyo, 150-8550, Japan; Department of Earth and Planetary Science, The University of Tokyo, Bunkyo, Tokyo, 113-0033, Japan
推荐引用方式 GB/T 7714	Umemoto K.,Hirose K.. Chemical compositions of the outer core examined by first principles calculations[J],2020,531.
APA	Umemoto K.,&Hirose K..(2020).Chemical compositions of the outer core examined by first principles calculations.Earth and Planetary Science Letters,531.
MLA	Umemoto K.,et al."Chemical compositions of the outer core examined by first principles calculations".Earth and Planetary Science Letters 531(2020).