globalchange  > 影响、适应和脆弱性
DOI: 10.1016/j.epsl.2018.03.015
Scopus记录号: 2-s2.0-85044436926
论文题名:
Bulk properties and near-critical behaviour of SiO2 fluid
作者: Green E.C.R.; Artacho E.; Connolly J.A.D.
刊名: Earth and Planetary Science Letters
ISSN: 0012821X
出版年: 2018
卷: 491
起始页码: 11
结束页码: 20
语种: 英语
英文关键词: critical point ; depolymerisation ; equation of state ; silica ; strong and fragile liquids
Scopus关键词: Equations of state of liquids ; Molecular dynamics ; Oxygen ; Satellites ; Silica ; Silicates ; Specific heat ; Constant-volume heat capacity ; critical point ; depolymerisation ; Equation of state ; First principles molecular dynamics ; Fragile liquids ; Increasing temperatures ; Planets and satellites ; Temperature
英文摘要: Rocky planets and satellites form through impact and accretion processes that often involve silicate fluids at extreme temperatures. First-principles molecular dynamics (FPMD) simulations have been used to investigate the bulk thermodynamic properties of SiO2 fluid at high temperatures (4000–6000 K) and low densities (500–2240 kg m−3), conditions which are relevant to protoplanetary disc condensation. Liquid SiO2 is highly networked at the upper end of this density range, but depolymerises with increasing temperature and volume, in a process characterised by the formation of oxygen–oxygen (O[dbnd]O) pairs. The onset of vaporisation is closely associated with the depolymerisation process, and is likely to be non-stoichiometric at high temperature, initiated via the exsolution of O2 molecules to leave a Si-enriched fluid. By 6000 K the simulated fluid is supercritical. A large anomaly in the constant-volume heat capacity occurs near the critical temperature. We present tabulated thermodynamic properties for silica fluid that reconcile observations from FPMD simulations with current knowledge of the SiO2 melting curve and experimental Hugoniot curves. © 2018 Elsevier B.V.
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资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/109922
Appears in Collections:影响、适应和脆弱性
气候变化事实与影响

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作者单位: Department of Earth Sciences, ETH Zurich, Clausiusstrasse 25, Zurich, 8092, Switzerland; Theory of Condensed Matter, Cavendish Laboratory, University of Cambridge, Cambridge, CB3 0HE, United Kingdom; CIC nanoGUNE, Donostia-San Sebastián, E-20018, Spain; Basque Foundation for Science Ikerbasque, Bilbao, E-48011, Spain; Donostia International Physics Center, Donostia-San Sebastián, E-20018, Spain

Recommended Citation:
Green E.C.R.,Artacho E.,Connolly J.A.D.. Bulk properties and near-critical behaviour of SiO2 fluid[J]. Earth and Planetary Science Letters,2018-01-01,491
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