| DOI: | 10.1002/2014GL060473
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| 论文题名: | Spin crossover in Fe2SiO4 liquid at high pressure |
| 作者: | Ramo D.M.; Stixrude L.
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| 刊名: | Geophysical Research Letters
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| ISSN: | 0094-10003
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| EISSN: | 1944-9734
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| 出版年: | 2014
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| 卷: | 41, 期:13 | | 起始页码: | 4512
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| 结束页码: | 4518
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| 语种: | 英语
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| 英文关键词: | Fe2SiO4
; melt
; molecular dynamics
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| Scopus关键词: | Iron oxides
; Magnesia
; Melting
; Molecular dynamics
; Silicates
; Fe2SiO4
; First-principle molecular dynamics
; High-pressure and temperatures
; Low-spin transition
; Oxide components
; Partial Molar volume
; Spin-polarized density functional theory
; Structural disorders
; Liquids
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| 英文摘要: | We combine spin-polarized density functional theory with first principle molecular dynamics (FPMD) to study the spin crossover in liquid Fe2SiO4, up to 300 GPa and 6000 K. In contrast to the much sharper transition seen in crystals, we find that the high- to low-spin transition occurs over a very broad pressure interval (>200 GPa) due to structural disorder in the liquid. We find excellent agreement with the experimental Hugoniot. We combine our results with previous FPMD calculations to derive the partial molar volumes of the oxide components MgO, FeO, and SiO2. We find that eutectic melts in the MgO-FeO-SiO2 system are denser than coexisting solids in the bottom 600 km of Earth's mantle. Key Points Spin crossover in liquid Fe2SiO4 is studied at high pressure and temperature High-spin to low-spin transition is smooth over a broad pressure interval Silicate melts may be buoyantly stable at the base of Earth's mantle ©2014. American Geophysical Union. All Rights Reserved. |
| URL: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-84903805174&doi=10.1002%2f2014GL060473&partnerID=40&md5=cf0517005963462a26cb526fc7f5030b
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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/7267
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| Appears in Collections: | 气候减缓与适应
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作者单位: | Department of Earth Sciences, University College London, London, United Kingdom
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| Recommended Citation: | |
Ramo D.M.,Stixrude L.. Spin crossover in Fe2SiO4 liquid at high pressure[J]. Geophysical Research Letters,2014-01-01,41(13).
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