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animation:seminaires:2019:accueil [2019/06/25 11:33] cicaluga |
animation:seminaires:2019:accueil [2019/06/25 11:34] cicaluga [Chemical equilibrium in the Earth's core] |
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| Amphi. a définir, ENS Lyon, France \\ | Amphi. a définir, ENS Lyon, France \\ | ||
| - | **Dario ALFE **, (Valeo AI) | + | **Dario ALFE ** (Department of Earth Sciences and Department of Physics and Astronomy, and London Centre for Nanotechnology, University College London, Gower Street, WC1E 6BT, London, U.K.) |
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| Using first principles calculations of chemical potentials we put contraints on the equilibrium concentrations of oxygen between liquid iron and a liquid silicate mixture, representative of long lived magma ocean (MO) at the base of the mantle. We show that the presence of a large fraction of oxygen in the core can be explained by a relatively large thermodynamic advantage of partitioning from the MO into the liquid core. | Using first principles calculations of chemical potentials we put contraints on the equilibrium concentrations of oxygen between liquid iron and a liquid silicate mixture, representative of long lived magma ocean (MO) at the base of the mantle. We show that the presence of a large fraction of oxygen in the core can be explained by a relatively large thermodynamic advantage of partitioning from the MO into the liquid core. | ||
| We also computed chemical potentials in solid ferropericlase, thought to be one of the main constituents of the Earth's mantle, and found that the current oxygen concentration in the core is lower than its equilibrium concentration, suggesting that the mantle may be continually pumping oxygen into the core, even at the present day. This has important consequences for our understanding of convection in the core, supporting the idea of the presence of a stratified, oxygen rich, layer at the top of the core, which may have been observed in the seismological record. | We also computed chemical potentials in solid ferropericlase, thought to be one of the main constituents of the Earth's mantle, and found that the current oxygen concentration in the core is lower than its equilibrium concentration, suggesting that the mantle may be continually pumping oxygen into the core, even at the present day. This has important consequences for our understanding of convection in the core, supporting the idea of the presence of a stratified, oxygen rich, layer at the top of the core, which may have been observed in the seismological record. | ||
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| ===== Machine learning in atomistic simulations: from reaction pathways to phase diagrams ===== | ===== Machine learning in atomistic simulations: from reaction pathways to phase diagrams ===== | ||