Identification

Data Identification:

citation:

Citation:

Title:

Chemical potentials of liquid iron mixtures at ICB conditions and of solid ferropericlase at CMB conditions (NERC grant NE/M000990/1)

Date:

CI_Date:

Date Type:

creation

date:

2018-11-28

Identifier:

RS_Identifier:

code:

http://data.bgs.ac.uk/id/dataHolding/13607436

Abstract:

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).

Point of Contact:

Responsible Party:

Individual Name:

Prof Dario Alfe

Organisation Name:

University College London

Position Name:

Earth Sciences

Contact Info:

CI_Contact:

Address:

Delivery Point:

Kathleen Lonsdale Building, Gower Street

city:

London

Postal Code:

WWC1E 6BT

e-mail:

not available

role:

principalInvestigator

Responsible Party:

Individual Name:

Dr Monica Pozzo

Organisation Name:

University College London

Position Name:

Earth Sciences

Contact Info:

CI_Contact:

Address:

Delivery Point:

Kathleen Lonsdale Building, Gower Street

city:

London

Postal Code:

WC1E 6BT

e-mail:

not available

role:

pointOfContact

Resource Maintenance:

MD_MaintenanceInformation:

maint. / update frequency:

notApplicable

Graphic overview:

Browse Graphic:

File Name:

https://resources.bgs.ac.uk/images/geonetworkThumbs/84993ac7-6a63-2d00-e054-002128a47908.png

Descriptive Keywords:

Keywords:

keyword:

Geology

keyword:

http://www.eionet.europa.eu/gemet/concept?cp=13&langcode=en&ns=5

Thesaurus Name:

Citation:

Title:

GEMET - INSPIRE themes, version 1.0

Date:

CI_Date:

date:

2008-06-01

Date Type:

publication

Keywords:

keyword:

Earth core

keyword:

NGDC Deposited Data

Thesaurus Name:

Citation:

Title:

BGS Thesaurus of Geosciences

Date:

CI_Date:

date:

2022

Date Type:

revision

Keywords:

keyword:

http://www.bgs.ac.uk/services/ngdc/esaa/search.html

keyword:

NGDC Deposited Data

Type:

dataCentre

Keywords:

keyword:

NERC_DDC

Resource Constraints:

MD_LegalConstraints:

Access Constraints:

otherRestrictions

Other Constraints:

licenceOGL

Other Constraints:

Available under the Open Government Licence subject to the following acknowledgement accompanying the reproduced NERC materials "Contains NERC materials ©NERC [year]"

Other Constraints:

http://inspire.ec.europa.eu/metadata-codelist/LimitationsOnPublicAccess/noLimitations

MD_LegalConstraints:

Use Constraints:

otherRestrictions

Other Constraints:

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:

Available under the Open Government Licence subject to the following acknowledgement accompanying the reproduced NERC materials "Contains NERC materials ©NERC [year]"

language:

eng

topicCategory:

geoscientificInformation

Extent:

Temporal Element:

TemporalExtent:

extent:

begin / end:

begin:

2015-02-28

end:

2018-09-30

Distribution

Distribution:

Transfer Options:

Digital Transfer Options:

onLine:

CI_OnlineResource:

linkage:

https://www.bgs.ac.uk/services/ngdc/accessions/index.html#item126476

function:

download

Data Quality

Data Quality:

Scope:

DQ_Scope:

level:

nonGeographicDataset

Level Description:

MD_ScopeDescription:

other:

non geographic dataset

Report:

Domain Consistency:

Result:

Conformance Result:

specification:

Citation:

Title:

INSPIRE Implementing rules laying down technical arrangements for the interoperability and harmonisation of Geology

Date:

CI_Date:

Date Type:

publication

date:

2011

explanation:

See the referenced specification

pass:

Domain Consistency:

Result:

Conformance Result:

specification:

Citation:

Title:

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

Date:

CI_Date:

Date Type:

publication

date:

2010-12-08

explanation:

See http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2010:323:0011:0102:EN:PDF

pass:

Lineage:

LI_Lineage:

statement:

Density functional theory runs performed on several supercomputing services

Metadata

File Identifier:

84993ac7-6a63-2d00-e054-002128a47908

language:

eng

Resource type:

nonGeographicDataset

Hierarchy Level Name:

non geographic dataset

Metadata Contact:

Responsible Party:

Organisation Name:

British Geological Survey

Contact Info:

CI_Contact:

phone:

CI_Telephone:

voice:

+44 115 936 3100

Address:

Delivery Point:

Environmental Science Centre,Keyworth

city:

NOTTINGHAM

administrative Area:

NOTTINGHAMSHIRE

Postal Code:

NG12 5GG

country:

United Kingdom

e-mail:

enquiries@bgs.ac.uk

role:

pointOfContact

Date Stamp:

2024-04-17

Metadata Standard Name:

http://vocab.nerc.ac.uk/collection/M25/current/GEMINI/

Metadata Standard Name:

UK GEMINI

Metadata Standard Version:

2.3

Dataset URI:

http://data.bgs.ac.uk/id/dataHolding/13607436