2010
DOI: 10.5488/cmp.13.23605
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Equation of state for ε-iron at high pressures and temperatures

Abstract: The equation of state for hexagonal close packed (hcp or ) phase of Fe at high pressure is created by employing molecular dynamics (MD) simulations in conjunction with the embedded atom method based on the full potential linear muffin tin orbital (FPLMTO) method. Comparison between the existing experimental data and our calculations suggests that the obtained equation of state can be reliably used for calculating iron volumetric properties under conditions appropriate for the Earth's core. We demonstrate that … Show more

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Cited by 17 publications
(14 citation statements)
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“…Our model for the inner planet follows the model originally developed by Sotin et al (2007), and further improved by Grasset et al (2010), with some differences related to the assumed EOS iron, where we have used the most recent EOS developed by Belonoshko (2010). For the gas envelope, we have considered three models, one convective/isothermal model, one radiative/convective model, and a two-stream irradiated model following the model of Guillot (2010).…”
Section: Discussionmentioning
confidence: 99%
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“…Our model for the inner planet follows the model originally developed by Sotin et al (2007), and further improved by Grasset et al (2010), with some differences related to the assumed EOS iron, where we have used the most recent EOS developed by Belonoshko (2010). For the gas envelope, we have considered three models, one convective/isothermal model, one radiative/convective model, and a two-stream irradiated model following the model of Guillot (2010).…”
Section: Discussionmentioning
confidence: 99%
“…This EOS for Fe has been preferred to the one used by Sotin et al (2007), as it allows to reproduce high-precision volumetric experiments of iron under high pressure and temperature closely (see Belonoshko 2010). The adiabatic gradient is computed as…”
Section: Modelmentioning
confidence: 99%
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“…2, b показаны барические зависимости второго q(P) и третьего z (P) параметров Грюнайзена. Оценки других авторов для q лежат в довольно широком ин-тервале: q = 0.69−1.7 -для ГЦК и ГПУ железа [3], 1.6 ± 0.6 -для ГЦК железа [15], 1.2−2.0 -для ГЦК и ГПУ железа [18], q = (−0.978)−(+0.489) -для ГПУ железа [19].…”
Section: результаты расчетовunclassified
“…Finally, we used the EOS derived by Belonoshko (2010) for pure Fe, which is similar to the Mie-Gruneisen-Debye EOS, but with a different thermal pressure term:…”
Section: Equations Of Statementioning
confidence: 99%