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Elastic properties of iron-rich hcp Fe-Mg alloys up to Earth's core pressures
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science.
2008 (English)In: Earth and Planetary Science Letters, ISSN 0012-821X, E-ISSN 1385-013X, Vol. 271, no 1-4, 221-225 p.Article in journal (Refereed) Published
Abstract [en]

Using density functional theory formulated within the framework of the exact muffin-tin orbital method, we investigate the elastic properties of hexagonal closed-packed Fe-Mg alloys, containing 5 and 10 at.% Mg, up to pressures of the Earth's inner core. We demonstrate the effect of Mg alloying on the hexagonal axial ratio, elastic constants, density and sound wave velocities. We find that 10% Mg alloying decreases the shear modulus of iron by 23% and reduces the transverse sound velocity, nu(s) by 12% at core pressures. Although it is debated whether or not Mg can partition into the core, our results support Mg as a candidate light element in the core.

Place, publisher, year, edition, pages
2008. Vol. 271, no 1-4, 221-225 p.
Keyword [en]
ab initio, elasticity, pressure, Earth's inner core
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-109968DOI: 10.1016/j.epsl.2008.04.003ISI: 000257835600021OAI: oai:DiVA.org:uu-109968DiVA: diva2:274908
Available from: 2009-11-02 Created: 2009-11-02 Last updated: 2017-12-12Bibliographically approved

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Kádas, KrisztinaVitos, LeventeAhuja, Rajeev

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