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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.

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Identification info

Metadata Language
English (en)
Dataset Reference Date ()
2021-02-16
Identifier

http://data.bgs.ac.uk/id/dataHolding/13607740

 

University College London

-

Yunguo Li

(

Department of Earth Sciences

)

Gower Street

,

London

,

WC1E 6BT

,
 

University College London

-

Professor L Vocadlo

(

Earth Sciences

)

Gower Street

,

London

,

WC1E 6BT

,
 

British Geological Survey

-

Enquiries


 

British Geological Survey

-

Enquiries


Maintenance and update frequency
notApplicable
GEMET - INSPIRE themes
  • Geology
BGS Thesaurus of Geosciences
  • Earth mantle

  • Earth core

Keywords
  • NERC_DDC

Limitations on Public Access
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]"
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]"

Topic category
  • Geoscientific information
Begin date
2020-05-01
End date
2021-02-01
 

Spatial Reference System

No information provided.

Distribution Information

Data format
  • VASP raw outputs

    ()

Resource Locator
Data
Resource Locator
Data
 
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

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

Degree
Statement

Ab initio molecular dynamics

Metadata

File identifier
c07c5bdc-f4ec-2ad6-e054-002128a47908 XML
Metadata Language
English (en)
Resource type
nonGeographicDataset
Hierarchy level name

non geographic dataset

Metadata Date
2023-03-21
Metadata standard name
UK GEMINI
Metadata standard version

2.3

 

British Geological Survey


Environmental Science Centre,Keyworth

,

NOTTINGHAM

,

NOTTINGHAMSHIRE

,

NG12 5GG

,

United Kingdom

+44 115 936 3100
 
 

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