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Two-phase modeling of water partitioning between liquid iron and silicate melt (NERC Grant NE/S01134X/1)

The two-phase modeling of water between liquid iron and silicate melt at 50 and 135 gigapascals (corresponding to 3500 and 4200 kelvin) was performed by using ab initio molecular dynamics implemented in the Vienna Ab Initio Simulation Package.

Simple

Date (Creation)
2021-02-16
Identifier
http://data.bgs.ac.uk/id/dataHolding/13607740
Originator
  University College London - Yunguo Li ( Department of Earth Sciences )
Gower Street , London , WC1E 6BT ,
Principal investigator
  University College London - Professor L Vocadlo ( Earth Sciences )
Gower Street , London , WC1E 6BT ,
Distributor
  British Geological Survey - Enquiries
Point of contact
  British Geological Survey - Enquiries
Maintenance and update frequency
notApplicable notApplicable
GEMET - INSPIRE themes, version 1.0
  • Geology
BGS Thesaurus of Geosciences
  • Earth mantle
  • Earth core
  • NGDC Deposited Data
dataCentre
  • NGDC Deposited Data
Keywords
  • NERC_DDC
Access constraints
otherRestrictions Other restrictions
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]"
Use constraints
otherRestrictions Other restrictions
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]"
Metadata language
EnglishEnglish
Topic category
  • Geoscientific information
Begin date
2020-05-01
End date
2021-02-01

Reference System Information

No information provided.
Distribution format
  • VASP raw outputs ()

Distributor
  British Geological Survey - Enquiries
OnLine resource
Data
Hierarchy level
nonGeographicDataset Non geographic dataset
Other
non geographic dataset

Conformance result

Date (Publication)
2011
Explanation
See the referenced specification
Pass
No

Conformance result

Date (Publication)
2010-12-08
Explanation
See http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2010:323:0011:0102:EN:PDF
Pass
No
Statement
Ab initio molecular dynamics
File identifier
c07c5bdc-f4ec-2ad6-e054-002128a47908 XML
Metadata language
EnglishEnglish
Hierarchy level
nonGeographicDataset Non geographic dataset
Hierarchy level name
non geographic dataset
Date stamp
2025-11-13
Metadata standard name
UK GEMINI
Metadata standard version
2.3
Point of contact
  British Geological Survey
Environmental Science Centre,Keyworth , NOTTINGHAM , NOTTINGHAMSHIRE , NG12 5GG , United Kingdom
+44 115 936 3100
Dataset URI
http://data.bgs.ac.uk/id/dataHolding/13607740
 
 

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