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Elastic properties of iron-rich hcp Fe-Mg alloys up to Earth's core pressures
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.ORCID iD: 0000-0003-2832-3293
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
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, centered-cubic iron, inner-core, x-ray, thermal-expansion, potential, model, ab-initio, in-situ, approximation, temperature, transition
URN: urn:nbn:se:kth:diva-17712DOI: 10.1016/j.epsl.2008.04.003ISI: 000257835600021ScopusID: 2-s2.0-45049087243OAI: diva2:335757
QC 20100525Available from: 2010-08-05 Created: 2010-08-05Bibliographically approved

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Vitos, LeventeAhuja, Rajeev
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