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Anomalies along Earth’s core can be explained by former oceanic seafloor that descended 3000 km to the base of the mantle. 

Abstract While the water storage capacities of the upper 700 km depths of the mantle have been constrained by high-pressure experiments and diamond inclusion studies, the storage capacity of the lower mantle remains controversial. A recent high-pressure experimental study on CaSiO3 perovskite, which is the third most abundant mineral in the lower mantle, reported possible storage of H2O up to a few weight percent. However, the substitution mechanism for H in this phase remains unknown. We have conducted a series of density functional theory calculations under static-lattice conditions and high pressures to elucidate hydration mechanisms at the atomic scale. All of the possible dodecahedral (Ca2+ → 2H+) and octahedral (Si4+ → 4H+) substitution configurations for a tetragonal perovskite lattice have very small energy differences, suggesting the coexistence of multiples of H configurations in CaSiO3 perovskite at mantle pressures and temperatures. The dodecahedral substitutions decrease the bulk modulus, resulting in a smaller unit-cell volume of hydrous CaSiO3 perovskite under pressure, consistent with the experimental observations. Although the octahedral substitutions also decrease the bulk modulus, they increase the unit-cell volume at 1 bar. The H atoms substituted in the dodecahedral sites develop much less hydrogen bonding with O atoms, leading to a large distortion in the neighboring SiO6 octahedra. Such distortion may be responsible for the non-cubic peak splittings observed in experiments on hydrous CaSiO3 perovskite. Our calculated infrared spectra suggest that the observed broad OH modes in CaSiO3 perovskite can result from the existence of multiples of H configurations in the phase. Combined with the recent experimental results, our study suggests that CaSiO3 can be an important mineral phase to consider for the H2O storage in the lower mantle. 

Hexagonal close‐packed (hcp) structured Fe‐Ni alloy is believed to be the dominant phase in the Earth's inner core. This phase is expected to contain 4%–5% light elements, such as Si and H. While the effects of individual light element candidates on the equation of state (EoS) of the hcp Fe metal have been studied, their combined effects remain largely unexplored. In this study, we report the equations of state for two hcp‐structured Fe‐Si‐H alloys, namely Fe_0.83Si_0.17H_0.07and Fe_0.83Si_0.17H_0.46, using synchrotron X‐ray diffraction measurements up to 125 GPa at 300 K. These alloys were synthesized by cold compression of Fe‐9wt%Si in either pure H₂or Ar‐H₂mixture medium in diamond‐anvil cells. The volume increase caused by a H atom in hcp Fe‐Si‐H alloys is approximately eight times greater than that by a Si atom. We used the improved data set to develop a composition‐dependent EoS that covers a wide range of compositions. Our calculated density and bulk sound velocity of hcp Fe‐Si‐H alloys suggest a large trade‐off between Si and H contents in fitting the seismic properties of the inner core. Combining our new EoS with geophysical and geochemical constraints, we propose 1.6–3 wt% Si and 0.15–0.6 wt% H in the Earth's inner core.

 

Although high pressure enables alloying between hydrogen and iron, hydrogen‐to‐iron molar ratio (H/Fe) so far found in experiments is mostly limited to 1 in the close‐packed iron metal under high pressure. We report a H/(Fe + Ni) ratio of 1.8 ± 0.1 from (Fe,Ni)H_x(orx ≥ 1.8) quenched from liquid, exceeding the amounts so far reported for densely packed Fe alloys. From the metastable behavior of the frozen (Fe,Ni)H_xliquid during decompression, we infer that the amount is a lower bound and therefore even a greater amount of H can be dissolved in the liquid part of Fe‐rich cores of planets. The significant H storage capacity of liquid Fe‐Ni alloy is important to consider for potential storage of H in the interiors of low‐density planets as well as rocky planets.

 

Bridgmanite, MgSiO 3 with perovskite structure, is considered the most abundant mineral on Earth. On the lower mantle, it contains Fe and Al that strongly influence its behavior. Experimentalists have debated whether iron may exist in a mixed valence state, coexistence of Fe 2+ and Fe 3+ in bridgmanite, through charge disproportionation. Here, we report the discovery of Fe-rich aluminous bridgmanite coexisting with metallic iron in a shock vein of the Suizhou meteorite. This is the first direct evidence in nature of the Fe disproportionation reaction, which so far has only been observed in some high-pressure experiments. Furthermore, our discovery supports the idea that the disproportionation reaction would have played a key role in redox processes and the evolution of Earth. 

The bridgmanite–akimotoite–majorite (Bm–Ak–Mj or BAM) triple point in MgSiO3 has been measured in large-volume press (LVP; COMPRES 8/3 assembly) and laser-heated diamond anvil cell (LHDAC). For the LVP data, we calculated pressures from the calibration provided for the assembly. For the LHDAC data, we conducted in situ determination of pressure at high temperature using the Pt scale at synchrotron. The measured temperatures of the triple point are in good agreement between LVP and LHDAC at 1990–2000 K. However, the pressure for the triple point determined from the LVP is 3.9 ± 0.6 GPa lower than that from the LHDAC dataset. The BAM triple point determined through these experiments will provide an important reference point in the pressure–temperature space for future high-pressure experiments and will allow mineral physicists to compare the pressure–temperature conditions measured in these two different experimental methods.