MgO Miscibility in Liquid Iron
Abstract
We explore phase equilbria on the MgO-Fe join as a prototype of lithophile-core interaction in terrestrial planets. Our simulations, based on density functional theory, are based on a two-phase method: fluids of initially pure MgO and Fe compositions are allowed to establish a dynamic equilbrium across a near-planar interface. Methods for analyzing the composition and other properties of the two coexisting phases show that MgO behaves as a component, with indistinguishable Mg and O concentrations in Fe-rich and oxide-rich phases. The phase diagram is well described as that of a symmetric regular solution, a picture confirmed by independent one-phase determinations of the enthalpy, entropy, and volume of mixing. The critical temperature, above which there is complete miscibility across the MgO-Fe join is 7000 K at 68 GPa, and 9000 K and 172 GPa. The rate of MgO exsolution from the Fe-rich liquid on cooling is similar to that found in previous experimental studies, and is too small to drive a dynamo.
- Publication:
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arXiv e-prints
- Pub Date:
- September 2024
- DOI:
- 10.48550/arXiv.2409.07681
- arXiv:
- arXiv:2409.07681
- Bibcode:
- 2024arXiv240907681I
- Keywords:
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- Physics - Geophysics
- E-Print:
- 37 pages, 9 figures, 3 tables