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Elastic properties of iron-rich hcp Fe-Mg alloys up to Earth's core pressures
KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Tillämpad materialfysik.ORCID-id: 0000-0003-2832-3293
KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
2008 (engelsk)Inngår i: Earth and Planetary Science Letters, ISSN 0012-821X, E-ISSN 1385-013X, Vol. 271, nr 1-4, s. 221-225Artikkel i tidsskrift (Fagfellevurdert) 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.

sted, utgiver, år, opplag, sider
2008. Vol. 271, nr 1-4, s. 221-225
Emneord [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
Identifikatorer
URN: urn:nbn:se:kth:diva-17712DOI: 10.1016/j.epsl.2008.04.003ISI: 000257835600021Scopus ID: 2-s2.0-45049087243OAI: oai:DiVA.org:kth-17712DiVA, id: diva2:335757
Merknad
QC 20100525Tilgjengelig fra: 2010-08-05 Laget: 2010-08-05 Sist oppdatert: 2017-12-12bibliografisk kontrollert

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