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

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

Mar 2006

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2006georl..3306303o&link_type=abstract

Geophysical Research Letters, Volume 33, Issue 6, CiteID L06303

Physics

2

Mineral Physics: Equations Of State, Mineral Physics: High-Pressure Behavior, Mineral Physics: Optical, Infrared, And Raman Spectroscopy, Tectonophysics: Earth'S Interior: Composition And State (1212, 7207, 7208, 8105)

Scientific paper

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.

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