Composition and temperature of the Earth's core constrained by combining ab initio calculations and seismic data

@article{Alf2002CompositionAT,
  title={Composition and temperature of the Earth's core constrained by combining ab initio calculations and seismic data},
  author={D. Alf{\'e} and M. Gillan and G. D. Price},
  journal={Earth and Planetary Science Letters},
  year={2002},
  volume={195},
  pages={91-98}
}
It is shown how ab initio techniques based on density functional theory can be used to calculate the chemical potentials of the leading candidate impurity elements (S, O and Si) in the Earth’s solid inner core and liquid outer core. The condition that these chemical potentials be equal in the solid and liquid phases provides values for the ratios of the impurity mol fractions in the inner and outer core. By combining the estimated ratios with ab initio values for the impurity molar volumes in… Expand

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