| DOI: | 10.1002/2015GL065899
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| 论文题名: | Liquid iron-hydrogen alloys at outer core conditions by first-principles calculations |
| 作者: | Umemoto K.; Hirose K.
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| 刊名: | Geophysical Research Letters
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| ISSN: | 0094-9518
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| EISSN: | 1944-9249
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| 出版年: | 2015
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| 卷: | 42, 期:18 | | 起始页码: | 7513
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| 结束页码: | 7520
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| 语种: | 英语
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| 英文关键词: | first principles
; hydrogen
; liquid iron alloy
; outer core
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| Scopus关键词: | Calculations
; Chemical elements
; Hydrogen
; Iron
; Liquid metals
; Liquids
; Molecular dynamics
; Shear flow
; Temperature
; Compressional velocities
; First principles
; First principles molecular dynamics
; First-principles calculation
; Hydrogen concentration
; Liquid iron
; outer core
; Pressure and temperature
; Iron alloys
; alloy
; concentration (composition)
; core (planetary)
; hydrogen
; iron
; seismology
; shear
; thermodynamics
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| 英文摘要: | We examined the density, bulk sound (compressional) velocity, and Grüneisen parameter of liquid pure Fe, Fe100H28 (0.50-wt % H), Fe88H40 (0.81-wt % H), and Fe76H52 (1.22 wt % H) at Earth's outer core pressure and temperature (P-T) conditions (~100 to 350-GPa, 4000 to 7000 K) based on first-principles molecular dynamics calculations. The results demonstrate that the thermodynamic Grüneisen parameter of liquid iron alloy decreases with increasing pressure, temperature, and hydrogen concentration, indicating a relatively small temperature gradient in the outer core when hydrogen is present. Along such temperature profile, both the density and compressional velocity of liquid iron containing ~1 wt % hydrogen match seismological observations. It suggests that hydrogen could be a primary light element in the core, although the shear velocity of the inner core is not reconciled with solid Fe-H alloy and thus requires another impurity element. © 2015 American Geophysical Union. All Rights Reserved. |
| URL: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-84945231650&doi=10.1002%2f2015GL065899&partnerID=40&md5=a534ad940080237ed64bb8efa5851d42
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| Citation statistics: |
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| 资源类型: | 期刊论文
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| 标识符: | http://119.78.100.158/handle/2HF3EXSE/9133
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| Appears in Collections: | 科学计划与规划
气候变化与战略
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作者单位: | Earth-Life Science Institute, Tokyo Institute of Technology, Tokyo, Japan
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| Recommended Citation: | |
Umemoto K.,Hirose K.. Liquid iron-hydrogen alloys at outer core conditions by first-principles calculations[J]. Geophysical Research Letters,2015-01-01,42(18).
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