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Abstract The viscosity of magma plays a crucial role in the dynamics of the Earth: from the crystallization of a magma ocean during its initial stages to modern-day volcanic processes. However, the pressure-dependence behavior of viscosity at high pressure remains controversial. In this study, we report the results of first-principles molecular dynamics simulations of basaltic melt to show that the melt viscosity increases upon compression along each isotherm for the entire lower mantle after showing minima at ~6 GPa. However, elevated temperatures of the magma ocean translate to a narrow range of viscosity, i.e., 0.01–0.03 Pa.s. This low viscosity implies that the crystallization of the magma ocean could be complete within a few million years. These results also suggest that the crystallization of the magma ocean is likely to be fractional, thus supporting the hypothesis that present-day mantle heterogeneities could have been generated during the early crystallization of the primitive mantle. 

Evaluating carbon’s candidacy as a light element in the Earth’s core is critical to constrain the budget and planet-scale distribution of this life-essential element. Here we use first principles molecular dynamics simulations to estimate the density and compressional wave velocity of liquid iron-carbon alloys with ~4-9 wt.% carbon at 0-360 gigapascals and 4000-7000 kelvin. We find that for an iron-carbon binary system, ~1-4 wt.% carbon can explain seismological compressional wave velocities. However, this is incompatible with the ~5-7 wt.% carbon that we find is required to explain the core’s density deficit. When we consider a ternary system including iron, carbon and another light element combined with additional constraints from iron meteorites and the density discontinuity at the inner-core boundary, we find that a carbon content of the outer core of 0.3-2.0 wt.%, is able to satisfy both properties. This could make the outer core the largest reservoir of terrestrial carbon.

 

Deeply subducted carbonates likely cause low-degree melting of the upper mantle and thus play an important role in the deep carbon cycle. However, direct seismic detection of carbonate-induced partial melts in the Earth’s interior is hindered by our poor knowledge on the elastic properties of carbonate melts. Here we report the first experimentally determined sound velocity and density data on dolomite melt up to 5.9 GPa and 2046 K by in-situ ultrasonic and sink-float techniques, respectively, as well as first-principles molecular dynamics simulations of dolomite melt up to 16 GPa and 3000 K. Using our new elasticity data, the calculated V P /V S ratio of the deep upper mantle (∼180–330 km) with a small amount of carbonate-rich melt provides a natural explanation for the elevated V P /V S ratio of the upper mantle from global seismic observations, supporting the pervasive presence of a low-degree carbonate-rich partial melt (∼0.05%) that is consistent with the volatile-induced or redox-regulated initial melting in the upper mantle as argued by petrologic studies. This carbonate-rich partial melt region implies a global average carbon (C) concentration of 80–140 ppm. by weight in the deep upper mantle source region, consistent with the mantle carbon content determined from geochemical studies. 

In this study, we use f irst-principles molecular dynamics simulations to explore the behavior of anhydrous aluminosilicate melt with a stoichiometry of NaAlSi2O6 up to pressures of ∼30 GPa and temperatures between 2500 and 4000 K. We also examine the effect of water (∼4 wt % H2O) on the equation of state and transport properties of the aluminosilicate melt and relate them to atomistic scale changes in the melt structure. Our results show that water reduces the density and bulk modulus of the anhydrous melt. However, the pressure derivative of the bulk modulus of the hydrous melt is larger than that of the anhydrous melt. The pressure dependence of the transport property exhibits an anomalous behavior. At a pressure of ∼12 GPa, anhydrous aluminosilicate melts exhibit maxima in diffusion and minima in viscosity. Dissolved water in melts also affects both diffusion and viscosity. In hydrous aluminosilicate melts, the maxima in diffusion and the minima in viscosity occur at ∼14 GPa. The anomalous behavior of transport properties is related to the pressure-induced changes in the melt structure. At shallower depths, i.e., up to 100 km, relevant for subduction zone settings, the lower density compounded by the lower viscosity of hydrous aluminosilicate melts is likely to provide buoyancy for upward migration. At greater depths of ∼180−200 km, greater compressibility of the hydrous aluminosilicate melts together with the minimum viscosity could hinder magma migration and may explain the presence of a partial melt layer at the lithosphere−asthenosphere boundary. 

Using first principles molecular dynamic simulations, we explore the effects of nitrogen (N) on the density and sound velocity of liquid iron and evaluate its potential as a light element in the Earth’s outer core. Our results suggest that Fe-N melt cannot simultaneously explain the density and seismic velocity of the Earth’s outer core. Although ~2.0 wt.% N can explain the bulk sound velocity of the outer core, such N content only lowers the density of liquid Fe by ~3%. Matching both the velocity and density by the other light elements limits the N in the core to ≪2.0 wt.%. Our finding suggests that nitrogen is a minor to trace element in the Earth’s core and is consistent with the geochemical mass balance with terrestrial abundance of N and alloy-silicate partitioning data, which suggest that there cannot be significant N in the core.