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It has long been assumed the Earths solid inner core started to grow when molten iron cooled to its melting point. However, the nucleation mechanism, which is a necessary step of crystallization, has not been well understood. Recent studies found it requires an unrealistic degree of undercooling to nucleate the stable hexagonal close-packed (hcp) phase of iron, which can never be reached under the actual Earths core conditions. This contradiction leads to the inner core nucleation paradox [1]. Here, using a persistent-embryo method and molecular dynamics simulations, we demonstrate that the metastable body-centered cubic (bcc) phase of iron has a much higher nucleation rate than the hcp phase under inner-core conditions. Thus, the bcc nucleation is likely to be the first step of inner core formation instead of direct nucleation of the hcp phase. This mechanism reduces the required undercooling of iron nucleation, which provides a key factor to solve the inner-core nucleation paradox. The two-step nucleation scenario of the inner core also opens a new avenue for understanding the structure and anisotropy of the present inner core.
In a first approximation the Earths interior has an isotropic structure with a spherical symmetry. Over the last decades the geophysical observations have revealed, at different spatial scales, the existence of several perturbations from this basic s
The crystal structure of iron in the Earths inner core remains debated. Most recent experiments suggest a hexagonal-close-packed (hcp) phase. In simulations, it has been generally agreed that the hcp-Fe is stable at inner core pressures and relativel
We employ state-of-the-art ab initio simulations within the dynamical mean-field theory to study three likely phases of iron (hexogonal close-packed, hcp, face centered cubic, fcc, and body centered cubic, bcc) at the Earths core conditions. We demon
We have studied the body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed (hcp) phases of Fe alloyed with 25 at. % of Ni at Earths core conditions using an ab initio local density approximation + dynamical mean-field theory
In a first approximation, the Earths interior has an isotropic structure with a spherical symmetry. Over the last decades the geophysical observations have revealed, at different spatial scales, the existence of several perturbations from this basic