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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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Solar cycles during the seventeenth century revealed by equatorial aurora records

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earth and Planetary Physics 2025年第1期9卷 182-187页

作者： Yong Wei LiMei Yan Key Laboratory of earth and Planetary Physics Institute of Geology and GeophysicsChinese Academy of SciencesBeijing 100029China College of earth and Planetary sciences University of Chinese Academy of SciencesBeijing 100049China

Solar cycles are fundamental to astrophysics,space exploration,technological infrastructure,and earth's climate.A better understanding of these cycles and their history can aid in risk mitigation on earth,while also deepening our knowledge of stellar physics and solar system *** the solar cycles between 1600 and 1700-especially the post-1645 Maunder Minimum,characterized by significantly reduced solar activity-poses challenges to existing solar activity *** study utilizes a new red equatorial auroral catalog from ancient Korean texts to establish solar cycle patterns from 1623 to ***,a further reevaluation of the solar cycles between 1610 and 1755 identified a total of 13 cycles,diverging from the widely accepted record of 12 cycles during that *** research enhances our understanding of historical solar activity,and underscores the importance of integrating diverse historical sources into modern analyses.

关键词： solar cycle Maunder Minimum solar activity red equatorial aurora West Pacific geomagnetic anomaly

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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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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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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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Crustal magma oxidation state and endowments in porphyry copper deposits

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Science China earth sciences 2025年第1期68卷 226-236页

作者： Yumin AI Massimo CHIARADIA Chao WU Huayong CHEN Key Laboratory of Mineralogy and Metallogeny Guangzhou Institute of Geochemistry Chinese Academy of Sciences University of Chinese Academy of sciences Department of earth sciences University of Geneva Guangdong Provincial Key Laboratory of Mineral Physics and Materials

Porphyry copper deposits（PCDs） supply the majority of the world's copper（Cu） as well as significant amounts of molybdenum（Mo） and gold（Au）. The formation of these deposits is controlled by a variety of geological factors, among which the magmatic oxidation is one of the focuses of current research. This study investigates the redox characteristics of arc magmas by analyzing the ratio of vanadium（V） to scandium（Sc） and its correlation with the oxygen fugacity （fO2） of magmas from arcs of various crustal thicknesses globally. We compiled an extensive dataset of published V/Sc values and studied the partition coefficients of Vand Sc between minerals and silicate melts across various magmatic environments. The results demonstrate that fractional crystallization of magnetite markedly reduces V/Sc values of the residual melt. Furthermore, magnesium number（Mg#） at the onset of magnetite fractionation is strongly positively correlated with fO2of the equilibrium magma. Based on this,the oxidation of arc magmas from different crustal thicknesses can be evaluated. The result suggests that magmas generated in crusts thicker than 20 km tend to be more oxidized with increasing crust thickness. This trend is attributed to enhanced intracrustal differentiation processes involving garnet and amphibole, particularly in mature island and continental arcs. In contrast,magmas in thinner arc crusts（<20 km）, which are significantly influenced by subducted slab materials, display higher oxidation states than most of their thicker crust counterparts. These findings suggest that both subduction dynamics and crustal thickness play a vital role in determining the oxidation state of arc magmas and, consequently, their capacity to generate PCDs. Highly oxidized, primitive arc magmas are less favorable for PCD formation due to that they tend to experience magnetite fractionation and thus sulfide saturation in the early stage of magma evolution, a process leading to copper depletion. On the contra

关键词： Magma evolution V/Sc systematics Magnetite Oxygen fugacity Porphyry copper deposits

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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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Molecular dynamics simulation of quartz deformation under slow earthquake background

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Science China earth sciences 2025年

作者： Jingxian SUN Qianqian GUO Quanlin HOU College of earth and Planetary sciences University of Chinese Academy of Sciences Key Laboratory of Computational Geodynamics CAS

Slow earthquakes are the primary mechanism of slow energy release, and research on the focal mechanism has been inconclusive. Studies have primarily focused on the friction law based on physical mechanisms and have suggested that slow earthquakes are caused by brittle faults. However, the focal strength and structural characteristics of slow earthquakes in subduction zones provide evidence of plastic deformation. What is the role of plastic deformation in the focal mechanisms of slow earthquakes? Mechanochemical study have shown that mechanical forces can directly affect chemical bonds. In this study,we examine the storage and release of chemical energy during plastic deformation and consider a mechanochemical process in the focal mechanism of slow earthquakes. Combined with the Tersoff potential, molecular dynamics simulation on the shear deformation process of two α-quartz crystals show that the shear modulus of α-quartz is 18 GPa, and that the crystal model primarily exhibits atoms flowing and changing in the direction of chemical bonds during the steady-state flow stage. The molecular potential energy and stress vary in an oscillating up-and-down curve during shear, indicating that chemical energy can be stored and released during plastic deformation. This is consistent with the energy variation during slow earthquakes. Under the initial simple-shear loading condition, α-quartz crystals undergo general shear deformation instead of plane strain and the angle between the longest instantaneous stretching axis （ISA1） and the shearing direction is approximately 30°, not 45°. Both the deformation type and direction of ISA1are contrary to basic deformation theory, which may provide clues for future *** study reveals the process of quartz elastic-plastic shear deformation on an atomic scale. This information is useful for understanding focal mechanisms of slow earthquakes. This study is part of a series of investigations on tectonic stress chemistry.

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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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