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.
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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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