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Ab initio study of the phase separation of argon in molten iron at high pressures

Ostanin, S; Alfe, D; Dobson, D; Vocadlo, L; Brodholt, JP; Price, GD; (2006) Ab initio study of the phase separation of argon in molten iron at high pressures. Geophysical Research Letters , 33 (6) , Article L06303. 10.1029/2005GL024276. Green open access

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Abstract

Using first-principles molecular dynamics (MD) simulations, we study the solubility of argon in molten iron at high pressures and temperatures. In particular we explore whether the low pressure immiscibility of liquid Fe and Ar persists to high pressure (130 GPa) and temperature (4500K), or whether they mix. Starting from a variety of Fe/Ar mixtures we find that they always separate rapidly into two liquids. We conclude that there is no evidence for a significant increase in the solubility of Ar in Fe at these conditions. We cannot, therefore, attribute the lower melting temperatures of Fe obtained from DAC experiments compared to those obtained from ab initio calculations and shock experiments, to eutectic melting between Fe and the Ar pressure medium.

Type: Article
Title: Ab initio study of the phase separation of argon in molten iron at high pressures
Open access status: An open access version is available from UCL Discovery
DOI: 10.1029/2005GL024276
Publisher version: http://dx.doi.org/10.1029/2005GL024276
Language: English
Additional information: Copyright 2006 by the American Geophysical Union
Keywords: Earth's core, Temperatures, State
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Earth Sciences
URI: https://discovery.ucl.ac.uk/id/eprint/140484
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