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Molecular dynamic simulations of supercooled liquid iron alloys at Earth’s core conditions (NERC Grant NE/T000228/1)

Ab initio and classical molecular dynamic simulations of supercooled liquid iron alloys at conditions of Earth’s core. This dataset includes molecular dynamic data of supercooled liquid iron at...

Chemical potentials of liquid iron mixtures at ICB conditions and of solid ferropericlase at CMB conditions (NERC grant NE/M000990/1)

This dataset contains VASP runs performed on several supercomputing services (ARCHER, Monsoon, Thomas and Grace in the UK; Eos in the USA) to calculate the chemical potentials of liquid iron...