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Molecular dynamics simulations of helium transport through inorganic mineral nanopores

Science China earth sciences 2025年第1期68卷 237-252页

作者： Dandan SONG Ping GUAN Chi ZHANG Jiahao REN school of earth and Space sciences Peking University

Helium transport through nanoscale inorganic mineral pores and pore throats is essential for its overall migration. To elucidate helium's transport dynamics within nanopores, we employed equilibrium and non-equilibrium molecular dynamics simulations to investigate helium's static self-diffusion and pressure-driven flow in quartz slit-shaped nanopores. We also introduced water and various gases, including hydrogen, methane, ethane, nitrogen, and carbon dioxide, into the nanopores to assess their influence on helium transport. Our findings indicate minimal helium adsorption on quartz pore surfaces. Under conditions where the pore size is less than 5 nm and the pressure under 10 MPa, environmental factors markedly influence helium diffusion. Large pore sizes, high temperatures, and low gas pressures enhance helium desorption and facilitate faster diffusion. We observed a positive correlation between helium flow velocity and factors such as pore size, pressure gradient, and surface smoothness of the pores. Notably, the presence of pore water and carrier gases in quartz nanopores, which diffuse more slowly than helium, tends to reduce helium surface adsorption and slow its diffusion. Among the carrier gases studied, nitrogen showed similar adsorption capacity, diffusivity, and stability to helium, while carbon dioxide displayed the highest adsorption capacity and the slowest diffusion rate, markedly differing from helium. Based on the simulation results, we concluded that water and carrier gases primarily function as transport mediums in helium migration, moving together with helium. Nitrogen, which shares similar properties with helium, effectively assists in this co-migration process. Conversely, carbon dioxide, due to its high adsorption capacity and slow diffusion, tends to be lost during co-migration. As a result, gas reservoirs with high nitrogen levels and low carbon dioxide levels are more likely to have higher helium concentrations. Additionally, the smaller por

关键词： Helium transport Slit nanopores Molecular dynamics simulations Diffusion Flow carriers

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Tectonic modes of mantle convection and their implications for earth's tectonic evolution based on three-dimensional numerical simulations

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Science China earth sciences 2025年第1期68卷 270-296页

作者： Song XIANG Jinshui HUANG Bingcheng WU school of earth and Space sciences University of Science and Technology of China CAS Center of Excellence in Comparative Planetary Studies

Five tectonic modes of mantle convection are obtained and analyzed with three-dimensional numerical models in a spherical shell domain. The five tectonic convective modes are non-plate mobile-lid, plate-like mobile-lid, episodic plate-like mobile-lid, episodic stagnant-lid, and stagnant-lid convective modes, respectively. The typical characteristics of these five tectonic modes and their numerical classification criteria based on plateness, mobility, and their standard deviations are presented and discussed. The results show that the yield stress of the lithosphere has profound effects on the tectonic convective *** the gradual increase of yield stress, the tectonic mode of mantle convection changes from one to another sequentially through the aforementioned five modes. Additionally, as the Rayleigh number increases, the range of yield stress for the platelike mobile-lid convective mode decreases, and the dimensionless transition stress between different tectonic modes ***, the dimensional transition stress between the non-plate mobile-lid convective mode and plate-like mobile-lid convective mode increases with the increase of Rayleigh number, but decreases between other tectonic modes. Furthermore, we find that the transition stress between different tectonic modes is inversely proportional to the internal heating rate, with the transition stress decreasing as the internal heating rate increases. The fitting analysis of the transition stress between tectonic modes shows that earth's current plate tectonics correspond to a lithospheric yield stress of 150–250 MPa, which aligns with the strength of serpentinized mantle rock determined by experimental petrography. If the Archean mantle was 300°C warmer than it is today, then the earth was in an episodic stagnant-lid convective mode. The tectonic evolution of the earth's surface is closely related to the lithospheric strength and the process of thermal evolution. If the lithospheric strength w

关键词： Tectonic mode of mantle convection Plate-like mobile-lid convection Episodic plate-like mobile-lid convection Episodic stagnant-lid convection Plate tectonics and tectonic evolution of the earth

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Halogen composition and heterogeneity in the continental lithospheric mantle

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Science China earth sciences 2025年第1期68卷 310-314页

作者： Chunfei CHEN State Key Laboratory of Geological Processes and Mineral Resources School of Earth Sciences China University of Geosciences

1. Introduction Halogens, including fluorine(F), chlorine(Cl), bromine(Br), and iodine(I), are highly mobile and water-soluble elements that can become significantly enriched in melts and fluids. In fluids and melts, halogens react with nearly all metals and readily form complexes with metal cations, significantly influencing the distribution of metal elements between different phases. Therefore, halogens play a crucial role in the migration, enrichment, and mineralization of key metals in the lithosphere(Weis et al., 2012; Liu et al., 2024).

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Formation and evolution of supercritical geofluid

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Science China earth sciences 2025年第1期68卷 39-51页

作者： Huaiwei NI Yilin XIAO Xiaolin XIONG Xiandong LIU Chunxiao GAO Yi-Xiang CHEN Yunguo LI Wan-Cai LI Xuan GUO Yang-Yang WANG Dong-Bo TAN Li ZHANG State Key Laboratory of Lithospheric and Environmental Coevolution University of Science and Technology of China Deep Space Exploration Laboratory/school of earth and Space sciences University of Science and Technology of China Guangzhou Institute of Geochemistry Chinese Academy of Sciences school of earth sciences and Engineering Nanjing University State Key Lab of Superhard Materials Jilin University

In this work, we provide a comprehensive review on the formation, evolution, properties, and effects of supercritical geofluid. In earth's interior, enhanced miscibility between H2O and silicate by the addition of special components or by the increase of pressure and temperature gives rise to supercritical geofluid with a significant amount of both H2O and silicate *** formation of supercritical geofluid in magmatic-hydrothermal systems, typified by pegmatite system, is governed by meltfluid critical curve. The formation of supercritical geofluid in metamorphic systems, typified by subducted slab, is governed by the second critical end point. Experimental results suggest that the presence of boron and fluorine in pegmatite system makes it possible to form supercritical geofluid at crustal depths, but the release of supercritical geofluid from subducted slab is withheld until almost 100 km depth. A major presence of both H2O and depolymerized structural units（monomers, dimers, etc.） endows supercritical geofluid with unique physical properties including low density, low elastic moduli, low viscosity, high diffusivity,and high electrical conductivity. Supercritical geofluid can effectively mobilize a variety of elements even including high field strength elements and heavy rare earth elements. The chemical signatures of supercritical geofluid can be inherited by metasomatized mantle and mantle-derived melts, and this could give an explanation of the oxidation of arc magmas. Phase separation of supercritical geofluid through the mechanism of spinodal decomposition leads to formation of a melt network. Multiphase fluid inclusions recovered from subduction zone rocks and pegmatites are possible relics of supercritical geofluid. Supercritical geofluid can cause electrical anomaly and low seismic velocity near the top of subducted slab, and can be linked with intermediate-focus earthquakes. Supercritical geofluid may have played a crucial role in the formation of pe

关键词： Supercritical geofluid Miscibility Subduction zone Pegmatite

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The composition of magmatic-hydrothermal fluids and their related metal mineralization

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Science China earth sciences 2025年第1期68卷 208-225页

作者： Qihai SHU Jun DENG State Key Laboratory of Geological Processes and Mineral Resources School of Earth Sciences and Resources China University of Geosciences Frontiers Science Center for Deep-time Digital earth China University of Geosciences

Magmatic hydrothermal deposits are important sources of many bulk, precious, and rare metals, and have attracted interest from both academic and industrial communities. However, it is still unclear if the major enrichment of the ore-forming metals occurs in the parental magma source region, during the magma evolution, or after the fluid exsolution. Fluid inclusions trapped in hydrothermal minerals crystallized in the early, high-temperature stage before metal precipitation record information close to that of the initially exsolved magmatic fluids, which are helpful in revealing whether the metals have been already significantly enriched prior to the hydrothermal stage. In this study, available compositional data of such early-stage fluid inclusions from magmatic hydrothermal systems globally have been compiled. The results indicate that the concentrations of Cu,Sn, and W respectively from the Cu-, Sn-, and W-mineralized fluids are significantly higher than the hydrothermal systems that do not produce ores with the corresponding metals. This suggests that Cu, Sn, and W could have already been enriched in the magma source and/or magma evolution stage. The Mo concentrations show no difference between Mo-mineralized and Mobarren fluid systems, indicating no significant pre-enrichment in the source region or during the magma evolution. This also implies that an efficient collection of Mo from a large volume of magmas is required to account for the formation of a large Mo deposit. Almost all the hydrothermal fluids contain high concentrations of Fe and Zn-Pb, but only a few of them eventually form Fe or Zn-Pb deposits, reflecting an important role of the hydrothermal evolution process on the selective metal *** above results indicate that different metals are enriched in different stages of a magmatic hydrothermal system, and that the major roles played in the formation of a deposit vary with the metal types. In addition to the metal concentrations in the o

关键词： Magmatic hydrothermal deposits Fluid inclusions LA-ICP-MS Metal enrichment Mineralization mechanism

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Economic effect of China's carbon neutrality target under shared socioeconomic pathways

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Science China earth sciences 2025年第1期68卷 142-157页

作者： Zemiao LIU Xianjin HUANG Xinxian QI school of Geography and ocean Science Nanjing University Key Laboratory of Carbon Neutrality and Territory Optimization Ministry of Natural Resources Frontiers Science Center for Critical earth Material Cycling Nanjing University

Economic feasibility is crucial for achieving the carbon neutrality target. However, current integrated assessments often underestimate the economic impacts of mitigation policies due to the lack of consideration of their economic benefits. This study integrates a warming-labour productivity model with a typical integrated assessment model using shared socioeconomic pathways. It simulates China's economic development and carbon emission levels under both baseline and carbon-neutral policy scenarios, evaluating the economic costs and benefits of emission reduction policies aimed at achieving carbon neutrality. These findings reveal the following:(1) The economic costs of emission reduction policies are projected to peak between 2050 and 2060, ranging from 0.41% to 9.37% of total GDP in the baseline scenario, primarily due to increased energy prices and R&D investments. These costs are expected to decline rapidly after 2070.(2) China's carbon-neutral policies will mitigate global warming, with the economic benefits of mitigation projected to reach 5.65% to 17.24% of China's total GDP by 2100.(3) Lowcarbon scenarios SSP1 and SSP4 could significantly reduce initial economic costs and advance the onset of net economic gains to 2060. This integrated assessment confirms that China's carbon neutrality target offers substantial net economic benefits in the long term. To minimize initial economic costs, efforts should focus on enhancing consumption-side transitions, upgrading lowcarbon technologies, and adopting new energy sources.

关键词： Climate change China Carbon neutrality Economic effects Policy

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Constraints on what controls millennial-scale basin-wide denudation across mountain belts, Asia

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Science China earth sciences 2025年第1期68卷 74-93页

作者： Ye YANG Steven A.BINNIE Sheng XU Cong-Qiang LIU Tibor J.DUNAI Institute of Surface-earth System Science School of Earth System Science Tianjin University Institute of Geology and Mineralogy University of Cologne

The terrestrial cosmogenic nuclide dataset consisting of 123310Be measurements of fluvial sediment samples across the Asian mountain belts is used to constrain the influence of climate,tectonics and topography on earth-surface denudation processes.10Be-derived basin-wide denudation rates were recalculated using a Monte Carlo simulation approach that relied on pixel-by-pixel production *** rates derived span four orders of magnitude,from 7.4±0.7 mm kyr-1（1σ;Central Tibetan Plateau） to 9,646744+777mm kyr-1（1σ;Southern Tibetan Plateau）,with a median of 186 mm *** our results with the traditional basin-wide production rate scaling model using a centroid coordinate and mean elevation,suggests that 96.6%of production rates will be underestimated using the latter method,especially for basins with a large *** bias between both methods reaches as large as 40%,caused by basin hypsometry and the nonlinear scaling of production rate with elevation and *** of the correlations between uniformly recalculated denudation rates and tectonics,climate,topography and rock lithology will facilitate the extrapolation of denudation rates in unknown basins using available *** the perspective of local scales,precipitation coupled with neotectonics-driven landslides is likely the most influential factor in subtropical Taiwan Island,while topography primarily constrains surface denudation rates in the eastern Tibetan Plateau within a narrow range of *** highland regions with glacier coverage,such as the Pamir,central and southern Tibetan Plateau high denudation rates are affected by glaciation,whereas lower precipitation and high erosion base level may limit river incision and evolving relief in the Central Tibetan *** contrast to local-scale findings highlighting a dominant factor constraining denudation rate,our large-scale quantitative analyses across the Asian mountain belts finds that （1） topographic metrics including

关键词： 10Be-derived denudation rate Climate change Tectonic uplift Topographic gradient Asian mountains

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Gradient maturation experiment on hairs implies taphonomic changes in fossil hairs

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Science China earth sciences 2025年第1期68卷 62-73页

作者： Xin LI Yibo ZHOU Tao ZHAO Xingjian HE Yanhong PAN State Key Laboratory for Mineral Deposits Research Center for Critical Earth Material Cycling Centre for Research and Education on Biological Evolution and Environment and Frontiers Science School of Earth Sciences and Engineering Nanjing University Institute of Palaeontology Yunnan Key Laboratory of Earth System Science Yunnan Key Laboratory for PalaeobiologyYunnan University

Mammalian hair, as a key feature related to endothermy, physical protection, and camouflage, has a long geohistorical record that dates back even to the Mesozoic. However, the limited information on the taphonomy of hair hinders the understanding of its evolutionary significance in deep time. To address this, we conducted taphonomic experiments to simulate the transformation process of black hair. The changes in the morphological structure, microscopic characteristics, and chemical composition of hair during the simulated fossilization process were documented by scanning electron microscopy, Fourier transform infrared(FTIR) spectroscopy, and Raman spectroscopy. Our results revealed that damage to the morphology of hair began at a mild temperature(150–175°C), and hair transformed into a fluid-like mass at a relatively high temperature(200°C). In addition, the morphological structure of melanosomes had relatively greater preservation potential than keratins did, and the microscopic features of melanosomes were persistently stable. The Raman and FTIR spectra indicated that the characteristic melanin and keratin peaks changed as the temperature increased. Although the chemical signals were not lost completely, the variations in the characteristic amide bands in the FTIR spectra indicate that the keratins severely degraded at high temperatures(>200°C), whereas the characteristic melanin bands in the Raman spectra suggested that melanin signals were still recognizable, even at high temperatures(>200°C). These results were confirmed by principal component analysis(PCA) and principal component analysis linear discriminant analysis(PCA–LDA). In addition, the Raman signals of all the samples in the simulated experiments were distinguished from the signals of common geological carbonaceous materials(humic acid), which suggested that Raman spectroscopy can be used to detect melanin in fossils.

关键词： Mammalian hair Melanin Keratin Fossilization Experimental taphonomy

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Paleoclimate data assimilation: Principles and prospects

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Science China earth sciences 2025年

作者： Haoxun ZHANG Mingsong LI Yongyun HU Key Laboratory of Orogenic Belts and Crustal Evolution Ministry of Education School of Earth and Space Sciences Peking University State Key Laboratory of Shale Oil and Gas Enrichment Mechanisms and Effective Development Laboratory for Climate and ocean-Atmosphere Studies Department of Atmospheric and Oceanic Sciences School of PhysicsPeking University Institute of ocean Research Peking University

Reconstructing climate states during geological periods is a key focus in studying earth system evolution. Substantial progress has been achieved in reconstructing paleoclimate and paleoenvironment using both earth system models and paleoclimate proxies. However, current paleoclimate reconstructions face several challenges:the accuracy of earth system model simulations relies on model parameter settings. Paleoclimate proxy data exhibit significant variability across different periods and regions, and proxy data are often sparse, hindering the accuracy and global relevance of proxy-based *** the pros and cons of these methods, paleoclimate data assimilation can effectively integrate earth system models and paleoclimate proxy data, enhancing the precision and global relevance of reconstructions. Using approaches such as the ensemble Kalman filter as an example, this paper introduces the principles of paleoclimate data assimilation and reviews recent advancements in reconstructing paleoclimate states using these techniques. Paleoclimate data assimilation offers new insights and advanced techniques for paleoclimate reconstruction, with potential applications extending to the entire Cenozoic, Mesozoic, and even Paleozoic eras. These applications could deepen our understanding of the past climatic backgrounds of extreme climate events such as glacial-interglacial cycles, hyperthermals, and oceanic anoxic events, providing a reference for predicting future climate change.

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Statistical characteristics and classification of ionospheric mid-latitude trough as revealed by the observations of DMSP-F18

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earth and Planetary Physics 2025年第1期9卷 137-147页

作者： Yi Liu JiuHou Lei FuQing Huang Su Zhou school of earth and Space sciences University of Science and Technology of ChinaHefei 230026China school of Science Guiyang UniversityGuiyang 550005China

Statistical characteristics and the classification of the topside ionospheric mid-latitude trough are systemically analyzed,using observations from the Defense Meteorological Satellite Program F18(DMSP-F18)*** data was obtained at an altitude of around 860 km in near polar orbit,throughout *** study identified the auroral boundary based on the in-situ electron density and electron spectrum,allowing us to precisely determine the location of the mid-latitude *** differs from most previous works,which only use Total Electron Content(TEC)or in-situ electron *** our study,the troughs exhibited a higher occurrence rate in local winter than in summer,and extended to lower latitudes with increasing geomagnetic *** was found that the ionospheric mid-latitude trough,which is associated with temperature changes or enhanced ion drift,exhibited distinct ***,the ionospheric mid-latitude troughs related to electron temperature(Te)peak were located more equatorward of auroral oval boundary in winter than in *** ionospheric mid-latitude troughs related to Te-maximum were less frequently observed at 60−70°S magnetic latitude and 90−240°E ***,the troughs related to ion temperature(Ti)maximums were observed at relatively higher latitudes,occurring more frequently in *** addition,the troughs related to ion velocity(Vi)maximums could be observed in all *** troughs with the maximum-Ti and maximum-Vi were located closer to the equatorward boundary of the auroral oval at the nightside,and in both *** implies that enhanced ion drift velocity contributes to increased collisional frictional heating and enhanced ion temperatures,resulting in a density depletion within the trough region.

关键词： topside ionosphere mid-latitude trough ionospheric main trough auroral oval boundary temperature maximum

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