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

Summary: Ab initio study of the phase separation of argon in molten iron at
high pressures
S. Ostanin,1
D. Alfe`,1
D. Dobson,1
L. Vocadlo,1
J. P. Brodholt,1
and G. D. Price1
Received 2 August 2005; revised 24 January 2005; accepted 31 January 2005; published 18 March 2006.
[1] 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

  

Source: Alfè, Dario - Departments of Earth Sciences & Physics and Astronomy, University College London
Price, G. David - Department Earth Sciences, University College London
Voèadlo, Lidunka - Department Earth Sciences, University College London

 

Collections: Chemistry; Geosciences; Materials Science; Physics