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Electrical and thermal transport properties of Fe-Ni based ternary alloys in the earth's inner core: An ab initio study
Mohammed V Univ, Fac Sci, Lab Condensed Matter & Interdisciplinary Sci, Rabat, Morocco..
Mohammed V Univ, Fac Sci, Lab Condensed Matter & Interdisciplinary Sci, Rabat, Morocco..
Uppsala Univ, Dept Phys & Astron, Mat Theory Div, SE-75121 Uppsala, Sweden..
Mohammed V Univ, Fac Sci, Lab Condensed Matter & Interdisciplinary Sci, Rabat, Morocco..
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2020 (English)In: Physics of the Earth and Planetary Interiors, ISSN 0031-9201, E-ISSN 1872-7395, Vol. 301, article id 106465Article in journal (Refereed) Published
Abstract [en]

Besides iron, the Earth's core also contains 5-10% of nickel and several light elements such as H, C, N, O, Si and S. Fe-Ni alloys have been considered as the host material with 10% Ni. The impurity atoms which are comprised of the light elements have been incorporated at different concentrations in the host alloy, giving rise to ternary alloys. All these systems have been subjected to compression at pressures similar to that in the inner core of the Earth. The atomic concentration of the impurities has been varied from 2.5% to 50%. The formation enthalpies suggest that these ternary alloys are energetically favorable. The impurity resistivity is calculated using the Kubo-Greenwood formula. At approximately similar to 30% of atomic concentration of impurities, the electrical resistivities start to saturate. For lesser percentage of hydrogen, the impurity resistivity is in the same range as that of the rest. But once the concentration of hydrogen increases, the impurity resistivity becomes very high. Generally, the resistivities are seen to plummet with increasing pressure. Using the Wiedemann-Franz law, the thermal conductivities were also determined from the calculated electrical resistivities for both varying concentration and pressure. On compression, the thermal conductivities increased by approximately 5% in the inner core pressure range.

Place, publisher, year, edition, pages
ELSEVIER , 2020. Vol. 301, article id 106465
Keywords [en]
Inner core, Fe-Ni alloys, Korringa-Kohn-Rostoker (KKR), Kubo-Greenwood, Electrical resistivity, Thermal conductivity
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-273116DOI: 10.1016/j.pepi.2020.106465ISI: 000526831300008Scopus ID: 2-s2.0-85081002442OAI: oai:DiVA.org:kth-273116DiVA, id: diva2:1429559
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QC 20200511

Available from: 2020-05-11 Created: 2020-05-11 Last updated: 2020-05-11Bibliographically approved

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Ahuja, Rajeev

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