84993ac7-6a63-2d00-e054-002128a47908
English
nonGeographicDataset
non geographic dataset
British Geological Survey
+44 115 936 3100
Environmental Science Centre,Keyworth
NOTTINGHAM
NOTTINGHAMSHIRE
NG12 5GG
United Kingdom
enquiries@bgs.ac.uk
pointOfContact
2021-01-12
UK GEMINI
2.3
http://data.bgs.ac.uk/id/dataHolding/13607436
Chemical potentials of liquid iron mixtures at ICB conditions and of solid ferropericlase at CMB conditions (NERC grant NE/M000990/1)
2018
creation
http://data.bgs.ac.uk/id/dataHolding/13607436
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).
Prof Dario Alfe
University College London
Earth Sciences
Kathleen Lonsdale Building, Gower Street
London
WWC1E 6BT
not available
principalInvestigator
Dr Monica Pozzo
University College London
Earth Sciences
Kathleen Lonsdale Building, Gower Street
London
WC1E 6BT
not available
pointOfContact
notApplicable
https://resources.bgs.ac.uk/images/geonetworkThumbs/84993ac7-6a63-2d00-e054-002128a47908.png
Geology
GEMET - INSPIRE themes
2008-06-01
publication
Earth core
BGS Thesaurus of Geosciences
2011
revision
NERC_DDC
otherRestrictions
licenceOGL
Available under the Open Government Licence subject to the following acknowledgement accompanying the reproduced NERC materials "Contains NERC materials ©NERC [year]"
otherRestrictions
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.
Available under the Open Government Licence subject to the following acknowledgement accompanying the reproduced NERC materials "Contains NERC materials ©NERC [year]"
English
geoscientificInformation
2015
2018
https://www.bgs.ac.uk/services/ngdc/accessions/index.html#item126476
download
nonGeographicDataset
non geographic dataset
INSPIRE Implementing rules laying down technical arrangements for the interoperability and harmonisation of Geology
2011
publication
See the referenced specification
false
Commission Regulation (EU) No 1089/2010 of 23 November 2010 implementing Directive 2007/2/EC of the European Parliament and of the Council as regards interoperability of spatial data sets and services
2010-12-08
publication
See http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2010:323:0011:0102:EN:PDF
false
Density functional theory runs performed on several supercomputing services