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Ostanin et al. 2006
Ostanin, S., Alfè, D., Dobson, D., Vocadlo, L., Brodholt, J.P. and Price, G.D. (2006). Ab initio study of the phase separation of argon in molten iron at high pressures. Geophysical Research Letters 33: doi: 10.1029/2005GL024276. issn: 0094-8276.

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.

BACKGROUND DATA FILES

Abstract

Keywords
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)
Journal
Geophysical Research Letters
http://www.agu.org/journals/gl/
Publisher
American Geophysical Union
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