Ab initio calculations and high P-T experiments on iron, iron alloys and other materials (NERC Grant NE/M015181/1)
This collection includes the elastic calculations of the hcp-Fe-Si-S-C alloy system. NERC grant NE/M015181/1 - Pre melting in iron and iron alloys: ab initio calculations and high P-T experiments on iron, iron alloys and other materials
nonGeographicDataset
https://www.bgs.ac.uk/services/ngdc/accessions/index.html#item132074
name: Data
function: download
http://data.bgs.ac.uk/id/dataHolding/13607579
eng
geoscientificInformation
publication
2008-06-01
Elasticity
Earth core
Iron
revision
2011
NERC_DDC
2015-06-01
2018-10-31
creation
2019-12-18
notApplicable
Elastic calculations were performed at the density functional theory level by using the Vienna Ab initio Simulation Package. Finite-temperature elastic calculations were done by using ab initio molecular dynamics. We used the strain–stress method to calculate the isothermal elastic constants.
publication
2011
false
See the referenced specification
publication
2010-12-08
false
See http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2010:323:0011:0102:EN:PDF
zip folder
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Department of Earth Sciences
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pointOfContact
Earth Sciences
University College London
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London
WC1E 6BT
principalInvestigator
British Geological Survey
Environmental Science Centre,Keyworth
NOTTINGHAM
NG12 5GG
United Kingdom
+44 115 936 3100
pointOfContact
2022-09-27