Home

About

Advanced Search

Browse by Discipline

Scientific Societies

E-print Alerts

Add E-prints

E-print Network
FAQHELPSITE MAPCONTACT US


  Advanced Search  

 
Z .Physics of the Earth and Planetary Interiors 110 1999 191210 Oxygen in the Earth's core: a first-principles study
 

Summary: Z .Physics of the Earth and Planetary Interiors 110 1999 191­210
Oxygen in the Earth's core: a first-principles study
Dario Alfe a,)
, G. David Price a
, Michael J. Gillan b
`
a
Geological Sciences Department, UniÕersity College London, Gower Street, London WC1E 6BT, UK
b
Physics Department, Keele UniÕersity, Keele, Staffordshire ST5 5BG, UK
Received 3 July 1998; accepted 2 October 1998
Abstract
First-principles electronic structure calculations based on DFT have been used to study the thermodynamic, structural and
transport properties of solid solutions and liquid alloys of iron and oxygen at Earth's core conditions. Aims of the work are
to determine the oxygen concentration needed to account for the inferred density in the outer core, to probe the stability of
the liquid against phase separation, to interpret the bonding in the liquid, and to find out whether the viscosity differs
significantly from that of pure liquid iron at the same conditions. It is shown that the required concentration of oxygen is in
the region 25­30 mol%, and evidence is presented for phase stability at these conditions. The FerO bonding is partly ionic,
but with a strong covalent component. The viscosity is lower than that of pure liquid iron at Earth's core conditions. It is
shown that earlier first-principles calculations indicating very large enthalpies of formation of solid solutions may need

  

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

 

Collections: Geosciences; Materials Science; Physics