BGS Data Catalogue
Chemical potentials of liquid iron mixtures at ICB conditions and of solid ferropericlase at CMB conditions (NERC grant NE/M000990/1)
This dataset contains VASP runs performed on several supercomputing services (ARCHER, Monsoon, Thomas and Grace in the UK; Eos in the USA) to calculate the chemical potentials of liquid iron mixtures and solid ferropericlase at Earth's core conditions using density functional theory. Data are available for the chemical potentials of iron in MgFeO and oxygen in liquid FeSiO. These data were used to calculate the partitioning of oxygen between ferropericlase and Earth's liquid core and to analyse the chemical boundary layer above the CMB. The present grant also supported work regarding the homogeneous solid nucleation in iron and iron-oxygen mixtures at Earth's core conditions when dealing with the core paradox. Classical nucleation theory data and results from VASP runs and classical molecular dynamics runs performed on ARCHER and Eos (Oak Ridge, USA) are also included in the uploaded dataset. In addition, the present grant also supported research on the dynamics and evolution of the Earth's core, together with a study confirming the saturation of electrical resistivity of solid iron at Earth’s core conditions (these data were uploaded as part of a previous NERC Grant, NE/H02462X/1). Further details can be found in Davies, Pozzo and Alfe’ (2018, in press); Davies et al. (2018); Pozzo and Alfe’ (2016); Davies et al. (2015).
Default
Identification info
- Metadata Language
- English (en)
- Dataset Reference Date ()
- 2018-11-28
University College London
-Prof Dario Alfe
(Earth Sciences
)Kathleen Lonsdale Building, Gower Street
,London
,WWC1E 6BT
,University College London
-Dr Monica Pozzo
(Earth Sciences
)Kathleen Lonsdale Building, Gower Street
,London
,WC1E 6BT
,- Maintenance and update frequency
- notApplicable
- GEMET - INSPIRE themes
- BGS Thesaurus of Geosciences
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Earth core
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- Keywords
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NERC_DDC
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- Limitations on Public Access
- otherRestrictions
- Other constraints
- licenceOGL
- Use constraints
- otherRestrictions
- Other constraints
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The copyright of materials derived from the British Geological Survey's work is vested in the Natural Environment Research Council [NERC]. No part of this work may be reproduced or transmitted in any form or by any means, or stored in a retrieval system of any nature, without the prior permission of the copyright holder, via the BGS Intellectual Property Rights Manager. Use by customers of information provided by the BGS, is at the customer's own risk. In view of the disparate sources of information at BGS's disposal, including such material donated to BGS, that BGS accepts in good faith as being accurate, the Natural Environment Research Council (NERC) gives no warranty, expressed or implied, as to the quality or accuracy of the information supplied, or to the information's suitability for any use. NERC/BGS accepts no liability whatever in respect of loss, damage, injury or other occurence however caused.
- Other constraints
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Available under the Open Government Licence subject to the following acknowledgement accompanying the reproduced NERC materials "Contains NERC materials ©NERC [year]"
- Topic category
-
- Geoscientific information
- Begin date
- 2015-02-28
- End date
- 2018-09-30
Spatial Reference System
Distribution Information
- Data format
-
- Resource Locator
- https://www.bgs.ac.uk/services/ngdc/accessions/index.html#item126476
- Resource Locator
- https://www.bgs.ac.uk/services/ngdc/accessions/index.html#item126476
- Quality Scope
- nonGeographicDataset
- Other
-
non geographic dataset
Report
- Dataset Reference Date ()
- 2011
- Explanation
-
See the referenced specification
- Degree
Report
- Dataset Reference Date ()
- 2010-12-08
- Explanation
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See http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2010:323:0011:0102:EN:PDF
- Degree
- Statement
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Density functional theory runs performed on several supercomputing services
Metadata
- File identifier
- 84993ac7-6a63-2d00-e054-002128a47908 XML
- Metadata Language
- English (en)
- Resource type
- nonGeographicDataset
- Hierarchy level name
-
non geographic dataset
- Metadata Date
- 2022-06-29
- Metadata standard name
- UK GEMINI
- Metadata standard version
-
2.3
British Geological Survey
Environmental Science Centre,Keyworth
,NOTTINGHAM
,NOTTINGHAMSHIRE
,NG12 5GG
,United Kingdom
