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BETA
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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...
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...