skip to main content


Search for: All records

Creators/Authors contains: "Bao, Huiming"

Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher. Some full text articles may not yet be available without a charge during the embargo (administrative interval).
What is a DOI Number?

Some links on this page may take you to non-federal websites. Their policies may differ from this site.

  1. A series of dramatic oceanic and atmospheric events occurred in the immediate aftermath of the Marinoan “snowball Earth” meltdown ∼635 My ago. However, at the 10- to 100-ky timescale, the order, rate, duration, and causal-feedback relationships of these individual events remain nebulous. Nonetheless, rapid swings in regional marine sulfate concentrations are predicted to have occurred in the aftermath of a snowball Earth, due to the nonlinear responses of its two major controlling fluxes: oxidative weathering on the continents and pyrite burial in marine sediments. Here, through the application of multiple isotope systems on various carbon and sulfur compounds, we determined extremely 13 C-depleted calcite cements in the basal Ediacaran in South China to be the result of microbial sulfate reduction coupled to anaerobic oxidation of methane, which indicates an interval of high sulfate concentrations in some part of the postmeltdown ocean. Regional chemostratigraphy places the 13 C-depleted cements at the equivalent of the earliest Ediacaran 17 O-depletion episode, thus confining the timing of this peak in sulfate concentrations within ∼50 ky since the onset of the deglaciation. The dearth of similarly 13 C-depleted cements in other Proterozoic successions implies that the earliest Ediacaran peak in marine sulfate concentration is a regional and likely transient event. 
    more » « less
  2. null (Ed.)
    Diffusional isotope fractionation has been widely used to explain lithium (Li) isotope variations in minerals and rocks. Isotopic mass dependence of Li diffusion can be empirically expressed as , where is the diffusivity of a Li isotope. The knowledge about temperature and compositional dependence of the factor which is essential for understanding diffusion profiles and mechanisms remains unclear. Based on the potential energy and interatomic forces generated by deep neural networks trained with ab initio data, we performed deep potential molecular dynamics (DPMD) simulations of several Li pseudo-isotopes (with mass = 2, 7, 21, 42 g/mol) in albite, hydrous albite, and model basalt melts to evaluate the factor. Our calculated diffusivities for 7Li in albite and model basalt melts at 1800 K compare well with experimental results. We found that in albite melt decreases from at 4000 K to at 1800 K. The presence of water appears to slightly weaken the temperature dependence of , with decreasing from to in hydrous albite melt. The calculated in model basalt melt takes much smaller values, decreasing from at 4000 K to at 1800 K. Our prediction of in albite and hydrous albite melts is in good agreement with experimental data. More importantly, our results suggest that Li isotope diffusion in silicate melts is strongly dependent on melt composition. The temperature and compositional effects on can be qualitatively explained in terms of ionic porosity and the coupled relationship between Li diffusion and the mobility of the silicate melt network. Two types of diffusion experiments are suggested to test our predicted temperature and compositional dependence of . This study shows that DPMD is a promising tool to simulate the diffusion of elements and isotopes in silicate melts. 
    more » « less
  3. null (Ed.)
    Diffusional isotope fractionation occurs in geochemical processes (such as magma mixing, bubble growth, and crystal growth), even at magmatic temperatures. Isotopic mass dependence of diffusion is commonly expressed as Di Dj ¼ mj mi   b , where Di and Dj are diffusion coefficients of two isotopes whose masses are mi and mj. How the dimensionless empirical parameter b depends on temperature, pressure, and composition remains poorly constrained. Here, we conducted a series of first-principles molecular dynamics simulations to evaluate the b factor of Mg isotopes in MgSiO3 and Mg2SiO4 melts using pseudo-isotope method. In particular, we considered interactions between Mg isotopes by simultaneously putting pseudo-mass and normalmass Mg atoms in a simulation supercell. The calculated b for Mg isotopes decreases linearly with decreasing temperature at zero pressure, from 0:158  0:004 at 4000 K to 0:121  0:017 at 2200 K for MgSiO3 melt and from 0:150  0:004 at 4000 K to 0:101  0:012 at 2200 K for Mg2SiO4 melt. Moreover, our simulations of compressed Mg2SiO4 melt along the 3000 K isotherm show that the b value decreases linearly from 0:130  0:006 at 0 GPa to 0:060  0:011 at 17 GPa. Based on our diffusivity results, the empirically established positive correlation between b and solvent-normalized diffusivity (Di/DSi) seems to be applicable only at constant temperatures or in narrow temperature ranges. Analysis of atomistic mechanisms suggests that the calculated b values are inversely correlated with force constants of Mg at a given temperature or pressure. Good agreement between our first principles results with available experimental data suggests that interactions between isotopes of major elements must be considered in calculating b for major elements in silicate melts. Also, we discuss diffusion-controlled crystal growth by considering our calculated b values. 
    more » « less
  4. Abstract

    Silicate melts have served as transport agents in the chemical and thermal evolution of Earth. Molecular dynamics simulations based on a deep neural network potential trained byab initiodata show that the viscosity of MgSiO3melt decreases with increasing pressure at low pressures (up to ∼6 GPa) before it starts to increase with further compression. The melt electrical conductivity also behaves anomalously; first increasing and then decreasing with pressure. The melt accumulation implied by the viscosity turnover at ∼23 GPa along mantle liquidus offers an explanation for the low‐velocity zone at the 660‐km discontinuity. The increase in electrical conductivity up to ∼50 GPa may contribute to the steep rise of Earth's electrical conductivity profiles derived from magnetotelluric observations. Our results also suggest that small fraction of melts could give rise to detectable bulk conductivity in deeper parts of the mantle.

     
    more » « less
  5. Abstract

    Marinoan snowball Earth offers us a set of sedimentary and geochemical records for exploring glacial isostatic adjustment (GIA) associated with one of the most severe glaciations in Earth history. An accurate prediction of GIA‐based relative sea level (RSL) change associated with a snowball Earth meltdown will help to explore sedimentary records for RSL changes and to place independent constraints on mantle viscosity and on the durations of syndeglaciation (Td) and cap carbonate deposition. Here we mainly examine postdeglacial RSL change characterized by an RSL drop and a resumed transgression inferred from the cap dolostones on the continental shelf in south China. Such a nonmonotonic RSL behavior may be a diagnostic GIA signal for the Marinoan deglaciation resulting from a significantly longer postdeglacial GIA response than that for the last deglaciation. A postdeglacial RSL drop followed by transgression in south China, which is significantly affected by Earth's rotation, is predicted over the continental shelf for models withTd≤ 20 kyr and a deep mantle viscosity of ~5 × 1022Pa s regardless of the upper mantle viscosity. The inferred GIA model also explains the postdeglacial RSL changes such as sedimentary‐inferred RSL drops on the continental shelf in northwestern Canada and California at low‐latitude regions insignificantly affected by Earth's rotation. Furthermore, the good match between the predicted and observed RSL changes in south China suggests an approximate duration of ~50 kyr for the Marinoan17O depletion event, an atmospheric event linked to the post‐Marinoan drawdown of CO2and the concurrent rise of O2.

     
    more » « less