Elasticity of iron at the temperature of the Earth's inner core

Seismological body-wave(1) and free-oscillation(2) studies of the Earth's s olid inner core have revealed that compressional waves traverse the inner c ore faster along near-polar paths than in the equatorial plane. Studies hav e also documented local deviations from this first-order pattern of anisotr opy on length scales ranging from 1 to 1,000 km (refs 3, 4). These observat ions, together with reports of the differential rotation(5) of the inner co re, have generated considerable interest in the physical state and dynamics of the inner core, and in the structure and elasticity of its main constit uent, iron, at appropriate conditions of pressure and temperature. Here we report first-principles calculations of the structure and elasticity of den se hexagonal close-packed (h.c.p.) iron at high temperatures. We find that the axial ratio c/a of h.c.p. iron increases substantially with increasing temperature, reaching a value of nearly 1.7 at a temperature of 5,700 K, wh ere aggregate bulk and shear moduli match those of the inner core. As a con sequence of the increasing c/a ratio, we have found that the single-crystal longitudinal anisotropy of h.c.p. iron at high temperature has the opposit e sense from that at low temperature(6,7). By combining our results with a simple model of polycrystalline texture in the inner core, in which basal p lanes are partially aligned with the rotation axis, we can account for seis mological observations of inner-core anisotropy.