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
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
,
- Maintenance and update frequency
- notApplicable notApplicable
- GEMET - INSPIRE themes, version 1.0
- BGS Thesaurus of Geosciences
-
- Earth mantle
- Earth core
- NGDC Deposited Data
- dataCentre
- Keywords
-
- NERC_DDC
- Access constraints
- otherRestrictions Other restrictions
- Other constraints
- licenceOGL
- 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
()
-
VASP raw outputs
()
- 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
- 2024-10-13
- 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