Oxygen in the Earth's core: a first principles study

Details Oxygen in the Earth's core: a first principles study Oxygen in the Earth's core: a first principles study

1998-09-24

arxiv.org/abs/physics/9809036v1

Physics

Geophysics

21 pages, 12 figures

Scientific paper

10.1016/S0031-9201(98)00134-4

First principles electronic structure calculations based on density functional theory 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 25-30 mol percent, and evidence is presented for phase stability at these conditions. The Fe-O 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 reinterpretation, since the assumed crystal structures are not the most stable at the oxygen concentration of interest.

Affiliated with

Also associated with

No associations

Rating

Oxygen in the Earth's core: a first principles study does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Oxygen in the Earth's core: a first principles study, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Oxygen in the Earth's core: a first principles study will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-709092