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Ab initio calculations and high P-T experiments on iron, iron alloys and other materials (NERC Grant NE/M015181/1)

Published by:
British Geological Survey (BGS)
Last updated:
19 April 2024

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...

Earth's core conductivities for pure iron and iron mixtures in the liquid outer core and solid inner core (NERC Grant NE/H02462X/1)

Published by:
British Geological Survey (BGS)
Last updated:
19 April 2024

This dataset contains VASP runs performed on ARCHER to calculate the electrical and thermal conductivities of pure iron and iron alloys at Earth's core conditions using density functional theory...