Cement-based materials and fiber-reinforced polymer(FRP)composites are fundamental material families in modern construc-tion.As structural materials,both occupy important positions in terms of global production volume...Cement-based materials and fiber-reinforced polymer(FRP)composites are fundamental material families in modern construc-tion.As structural materials,both occupy important positions in terms of global production volume,economic contribution,and carbon footprint.Cement-based materials are the most widely manufactured materials on Earth,with approximately 40 billion tonnes of cement produced annually,accounting for 7%–8%of glo-bal carbon dioxide(CO2)emissions.On the other hand,owing to unique advantages including high specific strength,excellent cor-rosion resistance,and design flexibility,FRP composites are garner-ing widespread attention in civil engineering applications.Both materials are being significantly advanced in terms of sustainabil-ity and high performance through cutting-edge studies.The key directions of recent research in this field involve simultaneously reducing embodied carbon,extending structural life,and enabling hybrid systems.展开更多
Nonlinear analyses possess tremendous significance throughout the entire lifespans of civil structures.In recent years,the interest in leveraging deep learning(DL)to address the efficiency limitations of the tradition...Nonlinear analyses possess tremendous significance throughout the entire lifespans of civil structures.In recent years,the interest in leveraging deep learning(DL)to address the efficiency limitations of the traditional structural analysis methods has increased.However,full-range nonlinear analyses of different structures remain underresearched because of a lack of appropriate data representations and the failure to consider both internal structural information and external load conditions.A heterogeneous graph(HetG)representation scheme that can digitalize arbitrary structural systems with high fidelity is proposed in this study.Furthermore,a composite feature learning framework is developed to enable efficient full-range nonlinear analyses.This framework comprises two main components:①a heterogeneous graph neural network(GNN)-based module that encodes static features into embeddings with full structural semantics and②a sequence-to-sequence(Seq2Seq)module that predicts history-dependent responses using structural embeddings and external stimuli in an end-to-end manner.A computational model named structural analysis based on a graph neural network-nonlinear(StructGNN-N)is implemented based on the proposed methodology and is validated through numerical experiments involving real-world concrete structures.The results show that StructGNN-N successfully reproduces the full-range nonlinear responses of all nodes in the entire structure and exhibits excellent generalizability across structures with diverse topological designs and member configurations.Notably,the developed model achieves a computational efficiency level that is 1000 times greater than that of the traditional elastoplastic history analysis approach using the finite-element(FE)method.A parametric analysis and ablation studies demonstrate the effectiveness of the StructGNN-N architecture.Due to its superior accuracy and computational efficiency,the proposed method holds great potential for use in engineering applications,especially in the context of digital twins.This approach provides an inspiring path for simulating diverse engineering structures with accurate and comprehensive mechanical information in real time.展开更多
Nickel-rich cathodes(NRCs)hold great promise for next-generation high-energy lithium-ion batteries(LIBs)due to high specific energy and low cost.However,the higher Ni content exacerbates the instability issues associa...Nickel-rich cathodes(NRCs)hold great promise for next-generation high-energy lithium-ion batteries(LIBs)due to high specific energy and low cost.However,the higher Ni content exacerbates the instability issues associated with structural degradation and side reactions during electrochemical cycling.Herein,we demonstrate the possibility of preparing NRCs,typically Li Ni0.9Co0.05Mn0.05O2(NCM9055),with much-improved mechanical and chemical stability based on the surface coating of the hydroxide precursors.Specifically,a conformal nanoshell containing both Al3+and W6+was first deposited around the precursor particles,and the following high-temperature lithiation produced the targeted NCM9055 with favorable structural features,where Al3+existed as a bulk dopant to enhance the structural stability while the high-valent W6+promoted the microstructural evolution into radially-architectured elongated primary particles.Such a structural engineering benefiting from the Al3+/W6+co-modification endowed the prepared NCM9055 cathode(NCM9055-Al W)with much-improved cycling stability,as revealed by a high-capacity retention of 98.0%after 100 cycles(tested at 0.5 C,4.3 V)as compared to only 79.0%for the pristine cathode without Al3+/W6+.The NCM9055-15Al W cathode also showed a high-rate capability with extraordinary structural stability against mechanical failure.Our study highlighted the enormous potential of precursor multi-element treatment as an effective tool in structural refinement of NRCs to circumvent their stability challenge for their applications in high-energy LIBs.展开更多
Structural optimization is a fundamental step in density functional theory(DFT)calculations,typically driven by the Broyden-Fletcher-Goldfarb-Shanno(BFGS)optimizer.However,the standard BFGS algorithm relies on a local...Structural optimization is a fundamental step in density functional theory(DFT)calculations,typically driven by the Broyden-Fletcher-Goldfarb-Shanno(BFGS)optimizer.However,the standard BFGS algorithm relies on a local quadratic approximation of the potential energy surface(PES),which frequently breaks down in highly non-quadratic regimes typical of complex surface adsorption systems and defective bulk materials.This breakdown leads to“Hessian pollution”,a phenomenon where higher-order anharmonicities introduce spurious off-diagonal inter-atomic couplings that distort curvature estimates and significantly stall convergence.Herein,we propose a physics-inspired algorithmic intervention to the BFGS method that systematically suppresses this pollution.Once the maximum residual force drops below a specific activation threshold(e.g.,0.5 or 0.1 eV/Å),our approach conditionally resets all off-diagonal Hessian blocks,and introduces an isotropic background stiffness strategy where these blocks can be repopulated with a small positive constant rather than zeroed completely.This balances the robust stability of diagonal dominance with accelerated convergence speed.Implemented as an add-on to the Atomic Simulation Environment(ASE)Library,the method is lightweight,transferable,and compatible with standard DFT codes.Tests across diverse chemical systems,including atomic and molecular adsorbates(O*,H*,CO*)on Pt(111)surfaces and defective bulk oxides(WO3-x),demonstrate substantial reductions in the number of required force calls without biasing the final optimized geometry.It offers a practical tool for high-throughput DFT workflows that eliminates the need for domain-specific training.This method is available via our open-source package,Hessian-Engineered Relaxation Optimizer(HERO).展开更多
To address the modeling fragmentation and predictive deviation caused by the conventional"singlemechanism,weakly coupled,additive response"approach in formation damage research,this study proposes an integra...To address the modeling fragmentation and predictive deviation caused by the conventional"singlemechanism,weakly coupled,additive response"approach in formation damage research,this study proposes an integrated modeling framework for multi-mechanism coupling throughout the entire drilling and completion process.Five dominant damage mechanisms are unified into a multi-physics formulation featuring a dual solid–liquid module architecture and a shared-state coupling mechanism.A structural-state integrated damage function(SSIDF)is introduced to establish a continuous mapping from microscopic mechanism evolution to macroscopic permeability degradation.A feedback network encompassing scaling,clay swelling,and water blocking is further developed,achieving bidirectional dynamic coupling among reaction kinetics,interfacial transport,and saturation fields,and representing one of the most systematic coupling schemes currently known.The model is solved via a space-time multi-scale optimization strategy,ensuring strong numerical stability and scalability.Field validation demonstrates a prediction accuracy of 98.6%,representing an improvement of over 8%compared to traditional additive models.The model is particularly applicable to unconventional reservoirs such as deepwater formations,where multi-mechanism damage evolves rapidly and conventional additive models fail to capture dynamic coupling behavior.展开更多
Magnesium alloys occupy a singular position among structural metals by virtue of their extreme lightweighting potential,combining the lowest density of any engineering metal with high specific strength,superior dampin...Magnesium alloys occupy a singular position among structural metals by virtue of their extreme lightweighting potential,combining the lowest density of any engineering metal with high specific strength,superior damping capacity,and excellent energy absorption.From a systems level perspective,these attributes translate directly into reductions in inertial loads,improved noise,vibration,harshness performance,and tangible lifecycle benefits in fuel consumption and emissions.The exceptional castability[1]and forgeability[2]of Mg further enables geometric complexity and functional integration that are difficult to achieve with aluminum or steel,allowing multi part assemblies to be consolidated into single,thin-walled load-bearing components with improved dimensional fidelity,and significantly lighter structural components.Abundance of primary resources,both earthbound and marine,adds a compelling,if still underexploited,argument for Mg as a long-term structural material.Collectively,these advantages explain why magnesium continues to re-emerge whenever mass efficiency becomes a dominant design constraint,even as its adoption remains episodic.展开更多
Background:Rats are often used to prepare skin defect models.However,the skin defect sizes of the models prepared by researchers are different,and the lack of consensus on the critical-size defect makes it difficult t...Background:Rats are often used to prepare skin defect models.However,the skin defect sizes of the models prepared by researchers are different,and the lack of consensus on the critical-size defect makes it difficult to compare their research results.Methods:The time for wound closure was evaluated and recorded through gross observation.The regression equation between the healing time and the diameter of skin defect was established,which can be used to predict the healing time for a certain skin defect size in rats.Histochemical and immunohistochemical staining was used to observe the regeneration and reconstruction of skin appendages,and the functional skin repair was quantitatively scored.Results:The critical-size defect of rats was determined based on the maximum capacity of structural skin repair,and the functional skin repair was quantitatively scored based on the regeneration and reconstruction of skin appendages.The allowable range of critical-size skin defect of SD rats lies between 45 and 50 mm in diameter.The concept of structural repair and the category of functional repair of injured skin are put forward.The regression equation between the structural skin healing time and defect diameters is established.Conclusion:The allowable range of skin critical-size defect of SD rats lies between 45 and 50 mm in diameter.The regression equation between the structural skin healing time and defect diameters can be used to predict the healing time for a certain skin defect size in rats.展开更多
This study examines the phase-dependent structural,electronic,optical,and thermodynamic characteristics of the cubic,tetragonal,and orthorhombic phases of BaTiO3 using DFT simulations.Lattice parameters and bulk mo...This study examines the phase-dependent structural,electronic,optical,and thermodynamic characteristics of the cubic,tetragonal,and orthorhombic phases of BaTiO3 using DFT simulations.Lattice parameters and bulk moduli computed through structural optimizations within the GGA-PBE framework are in good agreement with existing experimental and theoretical studies.All phases exhibit negative formation energies,indicating thermodynamic stability,with the orthorhombic phase being the most stable.Electronic structure calculations reveal indirect band gaps of 2.86,2.96,and 3.43 eV for the cubic,tetragonal,and orthorhombic phases,respectively.The density of states analysis indicates that O-p states dominate the valence band,and Ti-d states are the primary source of the conduction band.The optical properties of BaTiO3 have been evaluated using the frequency-dependent dielectric function over 0-15 eV,showing strong optical absorption in both the visible and ultraviolet regions.The optical band gap is consistent with the electronic results.The dielectric constants for all three phases of BaTiO3 are calculated to be 4.7,4.4,and 4.5,while the refractive indices are 2.18,2.09,and 2.12,respectively.In the infrared and visible regions(below~3.1 eV),the refractive index exhibits relatively high,weakly dispersive behavior for all phases,indicating strong polarization and low optical losses.The thermodynamic properties of BaTiO3 were evaluated using the quasi-harmonic Debye model in the temperature range 0-1000 K and pressure range 0-30 GPa.The calculated thermodynamic parameters suggest that the bulk modulus decreases with increasing temperature but increases with increasing pressure.At very high temperatures,the heat capacity approaches the Dulong-Petit limit.This study suggests that BaTiO3 shows potential for optoelectronic and high-temperature applications.展开更多
Transition-metal dichalcogenides hosting multiple competing structural and electronic phases are thus ideal platforms for constructing polytype heterostructures with emergent quantum properties.However,controlling pha...Transition-metal dichalcogenides hosting multiple competing structural and electronic phases are thus ideal platforms for constructing polytype heterostructures with emergent quantum properties.However,controlling phase transitions to form diverse heterostructures inside a single crystal remains challenging.In this study,we realize vertical/lateral polytype heterostructures in a hole-doped Mott insulator via thermal annealing-induced structural transitions.Raman spectroscopy,atomic force microscopy and scanning Kelvin probe force microscopy confirm the coexistence of T-H polytype heterostructures.Atomic-scale scanning tunneling microscopy/spectroscopy measurements reveal the transparent effect in 1H/1T vertical heterostructures,where positive bias voltage induces in a pronounced superposition of the√13×√13 CDW of the 1T-layer on the 1H-layer.By systematically comparing the 1T/1H and 1T/1T interfaces,we demonstrate that the metallic 1H-layer induces a Coulomb screening effect on the 1T-layer,suppressing the formation of CDW domain walls and forming more ordered electronic states.These results clarify the interfacial coupling between distinct quantum many-body phases and establish a controllable pathway for constructing two-dimensional polytype heterostructures with tunable electronic properties.展开更多
For decades,-N2has been known to exist at very low temperatures and pressures,located in a tiny area of the nitrogen phase diagram.Recently,it was shown that-N2occupies most of the P-T space usually associated w...For decades,-N2has been known to exist at very low temperatures and pressures,located in a tiny area of the nitrogen phase diagram.Recently,it was shown that-N2occupies most of the P-T space usually associated with molecular phases such asδ,ε,andζ,and that it plays a pivotal role in shaping nitrogen’s phase diagram.Using powder synchrotron X-ray diffraction,Raman and infrared spectroscopy,and density function theory calculations,we have investigated the structural and optical properties of-N2in a wide P-T range.The combined X-ray diffraction and infrared spectroscopy results unequivocally demonstrate that-N2adopts the monoclinic(P21/c space group)configuration with two N2molecules per unit cell.It appears that the-N2is structurally closely related toθ-N2,leading to both phases having very similar Raman signatures.Additionally,the Raman spectroscopy reveals a vibrational mode intensity resonance effect in both phases,caused by a strong vibrational coupling between the isotopic15N14N and14N2vibrational excitations.展开更多
Enterovirus 71(EV71),a member of the family Picornaviridae,genus Enterovirus,is an agent of hand,foot,and mouth disease(HFMD)and remains a persistent global health concern,particularly among children under five years ...Enterovirus 71(EV71),a member of the family Picornaviridae,genus Enterovirus,is an agent of hand,foot,and mouth disease(HFMD)and remains a persistent global health concern,particularly among children under five years of age.Although most infections are self-limiting,a significant proportion can progress to severe neurological manifestations such as aseptic meningitis,encephalitis,and fatal pulmonary oedema.Despite substantial advances in research,no universally effective antiviral therapy or broadly protective vaccine has yet been developed.Drawing upon both foundational and recent studies,we evaluate the strength of existing evidence and delineate how these viral proteins cooperatively regulate viral entry,genome replication,immune evasion,autophagy,and host cell death.Special emphasis is placed on virus–host protein interactions,post-translational modifications,and the signaling pathways targeted by EV71 to subvert innate immune responses protein–protein interactions with host factors,post-translational modifications,and the molecular mechanisms by which EV71 subverts innate immune signaling pathways.By integrating structural,biochemical,and systems-level insights,this review pro-poses a unifying conceptual model of EV71 protein function,highlighting key molecular interfaces that underline viral replication and pathogenesis.The analysis also identifies critical knowledge gaps and emerging therapeutic targets,providing a forward-looking perspective on strategies for antiviral drug discovery,vaccine design,and host-directed interventions aimed at durable control of EV71 infection.This review was designed to critically synthesize current structural,molecular,and systems-level evidence to elucidate how EV71 structural and nonstructural proteins coordinate viral replication,immune evasion,and pathogenesis,and to identify priority targets for antiviral and vaccine development.展开更多
Rare earth silicates RE2SiO5(RE=rare earth)with significant applications as laser host,scintillator,thermal barrier coatings,and quantum memory devices,generally exhibit two distinct structural phases:X1-type(lo...Rare earth silicates RE2SiO5(RE=rare earth)with significant applications as laser host,scintillator,thermal barrier coatings,and quantum memory devices,generally exhibit two distinct structural phases:X1-type(lower temperature,space group P21/c)and X2-type(higher temperature,space group C2/c).Each structure contains two unique sites hosting the rare earth ions,characterized by different coordination numbers(CNs).Theoretical calculations with the electronic structure and molecular dynamics software package CP2K were performed to better understand the structural stabilities of these compounds and the preferential site occupations of doping rare earth ions.The Gaussian basis set and the Perdew-Burke-Ernzerhof for solids(PBEsol)functional were employed due to their high computation speed and their reliable structural optimization results for solid materials.According to the results from theoretical calculations,it is found that the dispersion correction plays a vital role in correctly predicting the relative structural stability of the RE2SiO5 phases.Furthermore,the doping behaviors of rare earth ions with varying sizes in Y2SiO5 are systematically investigated.Our findings reveal that in both phases,Y1 site(CN=9 for X1-type,and CN=7 for X2-type)is preferentially occupied by larger ions like La3+,while smaller ions such as Sc3+demonstrate greater stability at Y2 site(CN=7 for X1-type,and CN=6 for X2-type).These results provide valuable insights into the structural properties and doping mechanisms of this class of crystals.展开更多
SmCo7-xMx(M=Cu,Zr,Hf,Si,Ga)intermetallic compounds,with distinctive disordered crystal structure and excellent magnetic performance,are of great importance for application as high-temperature rare-earth permanen...SmCo7-xMx(M=Cu,Zr,Hf,Si,Ga)intermetallic compounds,with distinctive disordered crystal structure and excellent magnetic performance,are of great importance for application as high-temperature rare-earth permanent magnets.In this study,the relationship between the valence electronic structure,structural stability and magnetic and thermal properties of Sm(Co,M)7intermetallic compounds is revealed by using an empirical electron theory of solids and molecules.The structural stability is strongly related to the valence electronic structure that is modulated by doping the third element M into SmCo7.The calculated bond lengths,magnetic moments and Curie temperatures show good agreement with experimental ones.The magnetic moment and Curie temperature strongly depend on the number of 3d magnetic electrons,and can be modulated by mutual electron transformation between 3d magnetic electron and covalence electron.展开更多
Structural variation is an important source of genetic variation in wheat and have been important in the evolution of the wheat's genome.Few studies have examined the relationship between structural variations and...Structural variation is an important source of genetic variation in wheat and have been important in the evolution of the wheat's genome.Few studies have examined the relationship between structural variations and agronomy and drought tolerance.The present study identified structural chromosome variations(SCVs)in a doubled haploid(DH)population and backcross introgression lines(BC5F3)derived from Jinmai 47 and Jinmai 84 using fluorescence in situ hybridization(FISH).There are one simple translocation,10 present/absent variations(PAVs),and one copy number variation(CNV)between Jinmai 47 and Jinmai 84,which distributed in 10 chromosomes.Eight SCVs were associated with 15 agronomic traits.A PAV recombination occurred on chromosome 2A,which was associated with grain number per spike(GNS).The 1BL/1RS translocation and PAV.2D were associated with significant reductions in plant height,deriving from the effects on LI2-LI4,LI2-LI4 and UI,respectively respectively.PAV.2D was also contributed to an increase of 3.13%for GNS,1BL/1RS significantly increased spikelet number,grain length(GL),and grain thickness(GT).The effect of PAV.4A.1 on GL,PAV.6A on spike length(SL)and thousand-grain weight(TGW),PAV.6B on SL,GT and TGW were identified and verified.PAVs on chromosomes 2A,6A,1D,2D,and a CNV on chromosome 4B were associated with the drought tolerance coefficients.Additive and interaction effects among SCVs were observed.Many previously cloned key genes and yield-related QTL were found in polymorphic regions of PAV.2B,PAV.2D,and CNV.4B.Altogether,this study confirmed the genetic effect of SCVs on agronomy and drought tolerance,and identification of these SCVs will facilitate genetic improvement of wheat through marker-assisted selection.展开更多
Thallium(Tl) is a highly toxic trace metal,is present in various environments,such as soils,waters,and sediments.Hexagonal birnessites(HB),naturally occurring minerals,significantly influence metal geochemical cycling...Thallium(Tl) is a highly toxic trace metal,is present in various environments,such as soils,waters,and sediments.Hexagonal birnessites(HB),naturally occurring minerals,significantly influence metal geochemical cycling due to their strong ability to adsorb and oxidize toxic metals.Understanding the transformation mechanisms of HB into tunnel structures is crucial for predicting their impact on Tl's environmental fate.This study investigated the reactions between Tl(Ⅰ) and acidic birnessite(AcBi),a common form of HB,under different conditions.Tl(Ⅰ) was added to AcBi systems either as a single dose or in twelve equal increments across a pH range of 2 to 6,under both light and dark conditions.Continuous Tl(Ⅰ) additions at pH 4 transformed over 90 % of AcBi into a 2 × 2tunnel structure,while at pH 6,53 %-75 % transformed.At pH 2,intense proton competition inhibited structural reconfiguration.Single dose addition caused minor structural changes at pH 4 and none transformation at pH2 or 6.Illumination accelerated transformations,likely through photoinduced electron transfers.The oxidation state and adsorption coordination of Tl varied with mineral structure:Tl(Ⅲ) was predominantly found in layered structures,while dehydrated Tl(Ⅰ) dominated in tunnel structures,which retained Tl less effectively.These findings offer new insights into the environmental behaviors of these substances and informs strategies to manage thallium pollution.展开更多
The Jinqingding gold deposit in eastern Jiaodong is a significant gold mineralization within the Muping-Rushan metallogenic belt.This study integrates structural analysis and trace element geochemistry of sulphides to...The Jinqingding gold deposit in eastern Jiaodong is a significant gold mineralization within the Muping-Rushan metallogenic belt.This study integrates structural analysis and trace element geochemistry of sulphides to elucidate ore-controlling mechanisms and metallogenic models.The deposit occurs as pyrite-quartz veins and polymetallic sulphide veins/disseminations hosted in biotite monzonitic granite,controlled by the NNE-striking Jiangjunshi-Quhezhuang fault.Structural analysis reveals that mineralization was controlled by conjugate shear joints,tension fractures,and enéchelon faults formed under a tectonic stress field withσ1oriented NE-SW.LA-ICP-MS trace element analysis of pyrite reveals dual geochemical affinities—high-temperature magmatic signatures(elevated Co,Ni,Ti)and medium-low temperature hydrothermal signals(enriched As,Pb,Bi)—suggesting episodic fluid inputs from magmatic-hydrothermal and meteoric sources.Rare earth elements(REEs)are low in pyrite and show slight LREE enrichment.The results suggest that the main ore-controlling structures formed under a stress field withσ1oriented NE-SW during the Early Cretaceous,and the mineralization may be related to episodic fluid pulses,as reflected by the changes in trace elements during the crystallization of pyrite.Furthermore,this study reveals an NEE-trending set of potential ore-controlling structures for epizonal gold mineralization,which is of great significance for regional gold exploration in Jiaodong.展开更多
Recent advances in geoscience have underscored the critical role of abiogenic processes in petroleum formation,especially the formation and polymerization of methane.However,whether a direct carbon-H2 reaction can ...Recent advances in geoscience have underscored the critical role of abiogenic processes in petroleum formation,especially the formation and polymerization of methane.However,whether a direct carbon-H2 reaction can produce C2+hydrocarbons(e.g.,ethane and propane)beyond methane remains an open question.Here,we demonstrate the direct synthesis of ethane and propane via reactions between amorphous carbon and H2 under upper mantle conditions(2-10 GPa and 800-1200℃).A systematic investigation reveals that increasing structural disorder in carbon precursors,from graphite to glassy carbon-Ⅱ and carbon black,enhances the production of C2-C3 hydrocarbons.Through integrated X-ray diffraction and reverse Monte Carlo simulations,we establish that the continuous random atomic network structures in amorphous carbon enable one-step synthesis of heavy hydrocarbons with H2.These models establish a direct link between atomic-scale carbon structures and the one-step synthesis of C2+ hydrocarbons under H2-rich,high-pressure,and high-temperature conditions—potentially revealing an efficient mechanism for the abiotic production of C2+ hydrocarbons in the upper mantle.展开更多
To accelerate the development and utilization of fusion energy,the China Fusion Engineering Test Reactor(CFETR)has been proposed as a bridge between the International Thermonuclear Experimental Reactor and demonstrati...To accelerate the development and utilization of fusion energy,the China Fusion Engineering Test Reactor(CFETR)has been proposed as a bridge between the International Thermonuclear Experimental Reactor and demonstration fusion reactors.The primary objective of the CFETR is to achieve fusion energy transformation and tritium self-sufficiency,which is realized through the function of the blanket.In this study,a neutronicshermal-hydraulics/mechanics coupling method is developed and applied to a helium-cooled ceramic breeder(HCCB)blanket,which is one of the two blanket candidates for the CFETR.A three-dimensional full-scale model is utilized in the coupling analysis to obtain the distributions of the neutronic,thermal-hydraulic,and mechanical parameters.A structural assessment of the CFETR HCCB blanket is then conducted considering steady-state conditions and two transient scenarios.The results demonstrate that following optimization of the blanket structure,the maximum temperatures of the different components remain below the safety limit of the corresponding materials.The structural assessment indicates that the blanket maintains its structural integrity under steady-state conditions.However,immediately after an in-box loss-of-coolant accident,structural failure owing to stress concentration may occur.Additionally,in the early stage of a loss-of-flow accident,the stress at the joint point between the cooling plate and cap exceeds the allowable stress of the material,potentially leading to structural failure within 17 s if no protective response is implemented.These findings provide comprehensive insights into the performance and safety of the CFETR HCCB blanket design.展开更多
The hard structural plane exerts a significantcontrolling effect on high-stress geological hazards in deep tunnels.Rapid and accurate acquisition of information on the hard structural planes is crucial for hazard asse...The hard structural plane exerts a significantcontrolling effect on high-stress geological hazards in deep tunnels.Rapid and accurate acquisition of information on the hard structural planes is crucial for hazard assessment,early warning,and control.First,the challenges of machine vision-based recognition of hard structural planes in deep tunnels were analyzed.Then,an adaptive illumination correction algorithm was developed to mitigate the adverse effects of lighting on the recognition of hard structural planes.Subsequently,a hard structural plane recognition algorithm integrating joint-local completion and YOLOv8 was established based on the developmental characteristics of hard structural planes,in order to address the challenge of discontinuous exposure of hard structural planes on the tunnel face.Finally,the model's performance was validated based on a deep tunnel project.The results indicate that by applying a preprocessing method combining a two-dimensional gamma function with adaptive nonlinear enhancement for uneven illumination correction,the adverse effects of lighting on hard structural plane recognition were significantlymitigated.The precision(P)increased by 7.03%,while the accuracy(Acc)improved by 4.43%.An identificationmethod incorporating automatic completion of discontinuous joints was established,which allows for the complete extraction of hard structural plane traces.The recognition accuracy increased by 8.49%.Through application of the proposed intelligent identificationmethod at the section DK196+600–700 of a deep tunnel,81.25%of the hard structural planes were completely recognized.The results can address the challenge of rapid,accurate,and noncontact recognition of hard structural planes in deep tunnels,providing a foundation for intelligent hazard assessment.展开更多
Size-controllable Sn nanoparticles are designed in this work via oxide doping to be uniformly embedded into flexible N-doped carbon nanofibers,in which the agglomeration and migration of Sn are effectively restrained ...Size-controllable Sn nanoparticles are designed in this work via oxide doping to be uniformly embedded into flexible N-doped carbon nanofibers,in which the agglomeration and migration of Sn are effectively restrained due to the suppressive effect of selected oxides,including SiO2,TiO2,and ZnO.Benefiting from unique merits of the embedment structure,such as ultrahigh aspect ratio,superior adhesion,and ideal stability,the flexible freestanding and highly robust electrode(Sn/TiO2@C,STC)is fabricated and exhibits a reversible specific capacity of 968.4 mAh g-1after 100 cycles at 0.1 A g-1.Moreover,the STC electrode contributes to a cycle lifespan of over 1000 cycles with a high specific capacity of 519.7 mAh g-1at 1.0 A g-1and a capacity decay as low as 0.00185%per cycle.Remarkably,practical application potential of the STC electrode was demonstrated by being assembled into a pouch cell,which not only works stably under bending states but also presents a specific capacity of 954.8 mAh g-1after 150 cycles at 0.1 A g-1.This composite fiber anode avoids extra use of polymer binder,current collector,and conductive additive,and exhibits a great potential in the practical application of flexible energy storage devices.展开更多
摘要Cement-based materials and fiber-reinforced polymer(FRP)composites are fundamental material families in modern construc-tion.As structural materials,both occupy important positions in terms of global production volume,economic contribution,and carbon footprint.Cement-based materials are the most widely manufactured materials on Earth,with approximately 40 billion tonnes of cement produced annually,accounting for 7%–8%of glo-bal carbon dioxide(CO2)emissions.On the other hand,owing to unique advantages including high specific strength,excellent cor-rosion resistance,and design flexibility,FRP composites are garner-ing widespread attention in civil engineering applications.Both materials are being significantly advanced in terms of sustainabil-ity and high performance through cutting-edge studies.The key directions of recent research in this field involve simultaneously reducing embodied carbon,extending structural life,and enabling hybrid systems.
基金support provided by the National Natural Science Foundation of China(52408188,52293433,and 52121005).
摘要Nonlinear analyses possess tremendous significance throughout the entire lifespans of civil structures.In recent years,the interest in leveraging deep learning(DL)to address the efficiency limitations of the traditional structural analysis methods has increased.However,full-range nonlinear analyses of different structures remain underresearched because of a lack of appropriate data representations and the failure to consider both internal structural information and external load conditions.A heterogeneous graph(HetG)representation scheme that can digitalize arbitrary structural systems with high fidelity is proposed in this study.Furthermore,a composite feature learning framework is developed to enable efficient full-range nonlinear analyses.This framework comprises two main components:①a heterogeneous graph neural network(GNN)-based module that encodes static features into embeddings with full structural semantics and②a sequence-to-sequence(Seq2Seq)module that predicts history-dependent responses using structural embeddings and external stimuli in an end-to-end manner.A computational model named structural analysis based on a graph neural network-nonlinear(StructGNN-N)is implemented based on the proposed methodology and is validated through numerical experiments involving real-world concrete structures.The results show that StructGNN-N successfully reproduces the full-range nonlinear responses of all nodes in the entire structure and exhibits excellent generalizability across structures with diverse topological designs and member configurations.Notably,the developed model achieves a computational efficiency level that is 1000 times greater than that of the traditional elastoplastic history analysis approach using the finite-element(FE)method.A parametric analysis and ablation studies demonstrate the effectiveness of the StructGNN-N architecture.Due to its superior accuracy and computational efficiency,the proposed method holds great potential for use in engineering applications,especially in the context of digital twins.This approach provides an inspiring path for simulating diverse engineering structures with accurate and comprehensive mechanical information in real time.
基金supported by the National Key R&D Program of China(Grant No.2022YFB2404402)the National Natural Science Foundation of China(Grant Nos.22025507,22421001,and 22409200)+1 种基金the Strategic Priority Research Program of the Chinese Academy of SciencesGrant No.XDB 1040200。
摘要Nickel-rich cathodes(NRCs)hold great promise for next-generation high-energy lithium-ion batteries(LIBs)due to high specific energy and low cost.However,the higher Ni content exacerbates the instability issues associated with structural degradation and side reactions during electrochemical cycling.Herein,we demonstrate the possibility of preparing NRCs,typically Li Ni0.9Co0.05Mn0.05O2(NCM9055),with much-improved mechanical and chemical stability based on the surface coating of the hydroxide precursors.Specifically,a conformal nanoshell containing both Al3+and W6+was first deposited around the precursor particles,and the following high-temperature lithiation produced the targeted NCM9055 with favorable structural features,where Al3+existed as a bulk dopant to enhance the structural stability while the high-valent W6+promoted the microstructural evolution into radially-architectured elongated primary particles.Such a structural engineering benefiting from the Al3+/W6+co-modification endowed the prepared NCM9055 cathode(NCM9055-Al W)with much-improved cycling stability,as revealed by a high-capacity retention of 98.0%after 100 cycles(tested at 0.5 C,4.3 V)as compared to only 79.0%for the pristine cathode without Al3+/W6+.The NCM9055-15Al W cathode also showed a high-rate capability with extraordinary structural stability against mechanical failure.Our study highlighted the enormous potential of precursor multi-element treatment as an effective tool in structural refinement of NRCs to circumvent their stability challenge for their applications in high-energy LIBs.
基金supported by JSPS KAKENHI(No.JP25H01508)Gusu Laboratory of Materials(grant number Y2501)+2 种基金Suzhou Mat Source Technology Co.,Ltd.,Beijing Natural Science Foundation(2262076)Natural Science Foundation of Hebei(E2025502039)Fundamental Research Fund for the Central Universities(2025JC008 and 2025MS131).
摘要Structural optimization is a fundamental step in density functional theory(DFT)calculations,typically driven by the Broyden-Fletcher-Goldfarb-Shanno(BFGS)optimizer.However,the standard BFGS algorithm relies on a local quadratic approximation of the potential energy surface(PES),which frequently breaks down in highly non-quadratic regimes typical of complex surface adsorption systems and defective bulk materials.This breakdown leads to“Hessian pollution”,a phenomenon where higher-order anharmonicities introduce spurious off-diagonal inter-atomic couplings that distort curvature estimates and significantly stall convergence.Herein,we propose a physics-inspired algorithmic intervention to the BFGS method that systematically suppresses this pollution.Once the maximum residual force drops below a specific activation threshold(e.g.,0.5 or 0.1 eV/Å),our approach conditionally resets all off-diagonal Hessian blocks,and introduces an isotropic background stiffness strategy where these blocks can be repopulated with a small positive constant rather than zeroed completely.This balances the robust stability of diagonal dominance with accelerated convergence speed.Implemented as an add-on to the Atomic Simulation Environment(ASE)Library,the method is lightweight,transferable,and compatible with standard DFT codes.Tests across diverse chemical systems,including atomic and molecular adsorbates(O*,H*,CO*)on Pt(111)surfaces and defective bulk oxides(WO3-x),demonstrate substantial reductions in the number of required force calls without biasing the final optimized geometry.It offers a practical tool for high-throughput DFT workflows that eliminates the need for domain-specific training.This method is available via our open-source package,Hessian-Engineered Relaxation Optimizer(HERO).
基金financially supported by National Natural Science Foundation of China(No.U23B2082)Oil&Gas Major Project(No.2025ZD1404600)supported by the China Scholarship Council(202406440017)for one year research at the University of Dundee。
摘要To address the modeling fragmentation and predictive deviation caused by the conventional"singlemechanism,weakly coupled,additive response"approach in formation damage research,this study proposes an integrated modeling framework for multi-mechanism coupling throughout the entire drilling and completion process.Five dominant damage mechanisms are unified into a multi-physics formulation featuring a dual solid–liquid module architecture and a shared-state coupling mechanism.A structural-state integrated damage function(SSIDF)is introduced to establish a continuous mapping from microscopic mechanism evolution to macroscopic permeability degradation.A feedback network encompassing scaling,clay swelling,and water blocking is further developed,achieving bidirectional dynamic coupling among reaction kinetics,interfacial transport,and saturation fields,and representing one of the most systematic coupling schemes currently known.The model is solved via a space-time multi-scale optimization strategy,ensuring strong numerical stability and scalability.Field validation demonstrates a prediction accuracy of 98.6%,representing an improvement of over 8%compared to traditional additive models.The model is particularly applicable to unconventional reservoirs such as deepwater formations,where multi-mechanism damage evolves rapidly and conventional additive models fail to capture dynamic coupling behavior.
摘要Magnesium alloys occupy a singular position among structural metals by virtue of their extreme lightweighting potential,combining the lowest density of any engineering metal with high specific strength,superior damping capacity,and excellent energy absorption.From a systems level perspective,these attributes translate directly into reductions in inertial loads,improved noise,vibration,harshness performance,and tangible lifecycle benefits in fuel consumption and emissions.The exceptional castability[1]and forgeability[2]of Mg further enables geometric complexity and functional integration that are difficult to achieve with aluminum or steel,allowing multi part assemblies to be consolidated into single,thin-walled load-bearing components with improved dimensional fidelity,and significantly lighter structural components.Abundance of primary resources,both earthbound and marine,adds a compelling,if still underexploited,argument for Mg as a long-term structural material.Collectively,these advantages explain why magnesium continues to re-emerge whenever mass efficiency becomes a dominant design constraint,even as its adoption remains episodic.
基金National Key Research and Development Program of China,Grant/Award Number:2023YFC2410403。
摘要Background:Rats are often used to prepare skin defect models.However,the skin defect sizes of the models prepared by researchers are different,and the lack of consensus on the critical-size defect makes it difficult to compare their research results.Methods:The time for wound closure was evaluated and recorded through gross observation.The regression equation between the healing time and the diameter of skin defect was established,which can be used to predict the healing time for a certain skin defect size in rats.Histochemical and immunohistochemical staining was used to observe the regeneration and reconstruction of skin appendages,and the functional skin repair was quantitatively scored.Results:The critical-size defect of rats was determined based on the maximum capacity of structural skin repair,and the functional skin repair was quantitatively scored based on the regeneration and reconstruction of skin appendages.The allowable range of critical-size skin defect of SD rats lies between 45 and 50 mm in diameter.The concept of structural repair and the category of functional repair of injured skin are put forward.The regression equation between the structural skin healing time and defect diameters is established.Conclusion:The allowable range of skin critical-size defect of SD rats lies between 45 and 50 mm in diameter.The regression equation between the structural skin healing time and defect diameters can be used to predict the healing time for a certain skin defect size in rats.
摘要This study examines the phase-dependent structural,electronic,optical,and thermodynamic characteristics of the cubic,tetragonal,and orthorhombic phases of BaTiO3 using DFT simulations.Lattice parameters and bulk moduli computed through structural optimizations within the GGA-PBE framework are in good agreement with existing experimental and theoretical studies.All phases exhibit negative formation energies,indicating thermodynamic stability,with the orthorhombic phase being the most stable.Electronic structure calculations reveal indirect band gaps of 2.86,2.96,and 3.43 eV for the cubic,tetragonal,and orthorhombic phases,respectively.The density of states analysis indicates that O-p states dominate the valence band,and Ti-d states are the primary source of the conduction band.The optical properties of BaTiO3 have been evaluated using the frequency-dependent dielectric function over 0-15 eV,showing strong optical absorption in both the visible and ultraviolet regions.The optical band gap is consistent with the electronic results.The dielectric constants for all three phases of BaTiO3 are calculated to be 4.7,4.4,and 4.5,while the refractive indices are 2.18,2.09,and 2.12,respectively.In the infrared and visible regions(below~3.1 eV),the refractive index exhibits relatively high,weakly dispersive behavior for all phases,indicating strong polarization and low optical losses.The thermodynamic properties of BaTiO3 were evaluated using the quasi-harmonic Debye model in the temperature range 0-1000 K and pressure range 0-30 GPa.The calculated thermodynamic parameters suggest that the bulk modulus decreases with increasing temperature but increases with increasing pressure.At very high temperatures,the heat capacity approaches the Dulong-Petit limit.This study suggests that BaTiO3 shows potential for optoelectronic and high-temperature applications.
基金supported by the National Natural Science Foundation of China(Grant Nos.92477128,92580137,92477205,12374200,11604063,11974422,and 12104504)the National Key R&D Program of China(MOST)(Grant No.2023YFA1406500)+4 种基金the Strategic Priority Research Program(Chinese Academy of Sciences,CAS)(Grant No.XDB30000000)the Fundamental Research Funds for the Central Universities and Research Funds of Renmin University of China(Grant No.21XNLG27)supported by the Outstanding Innovative Talents Cultivation Funded Programs 2023 of the Renmin University of Chinaan outcome of“Two-dimensional anisotropic series of materials FePd2+xTe2:a structural modulation study from the atomic scale to the mesoscopic scale”(RUC25QSDL128)funded by the“Qiushi Academic-Dongliang”Talent Cultivation Project at Renmin University of China in 2025。
摘要Transition-metal dichalcogenides hosting multiple competing structural and electronic phases are thus ideal platforms for constructing polytype heterostructures with emergent quantum properties.However,controlling phase transitions to form diverse heterostructures inside a single crystal remains challenging.In this study,we realize vertical/lateral polytype heterostructures in a hole-doped Mott insulator via thermal annealing-induced structural transitions.Raman spectroscopy,atomic force microscopy and scanning Kelvin probe force microscopy confirm the coexistence of T-H polytype heterostructures.Atomic-scale scanning tunneling microscopy/spectroscopy measurements reveal the transparent effect in 1H/1T vertical heterostructures,where positive bias voltage induces in a pronounced superposition of the√13×√13 CDW of the 1T-layer on the 1H-layer.By systematically comparing the 1T/1H and 1T/1T interfaces,we demonstrate that the metallic 1H-layer induces a Coulomb screening effect on the 1T-layer,suppressing the formation of CDW domain walls and forming more ordered electronic states.These results clarify the interfacial coupling between distinct quantum many-body phases and establish a controllable pathway for constructing two-dimensional polytype heterostructures with tunable electronic properties.
基金supported by the National Natural Science Foundation of China(Grant Nos.12522401 and 12204484)the Innovation Program for Quantum Science and Technology(Grant No.2024ZD0302100)+1 种基金the Youth Innovation Promotion Association of the CAS(Grant No.2021446)the HFIPS Director’s Fund of the Chinese Academy of Sciences(Grant No.BJPY2023B02).
摘要For decades,-N2has been known to exist at very low temperatures and pressures,located in a tiny area of the nitrogen phase diagram.Recently,it was shown that-N2occupies most of the P-T space usually associated with molecular phases such asδ,ε,andζ,and that it plays a pivotal role in shaping nitrogen’s phase diagram.Using powder synchrotron X-ray diffraction,Raman and infrared spectroscopy,and density function theory calculations,we have investigated the structural and optical properties of-N2in a wide P-T range.The combined X-ray diffraction and infrared spectroscopy results unequivocally demonstrate that-N2adopts the monoclinic(P21/c space group)configuration with two N2molecules per unit cell.It appears that the-N2is structurally closely related toθ-N2,leading to both phases having very similar Raman signatures.Additionally,the Raman spectroscopy reveals a vibrational mode intensity resonance effect in both phases,caused by a strong vibrational coupling between the isotopic15N14N and14N2vibrational excitations.
基金supported by grants from the Natural Science Foundation of Jilin Province(Project number:YDZJ202301ZYTS197).
摘要Enterovirus 71(EV71),a member of the family Picornaviridae,genus Enterovirus,is an agent of hand,foot,and mouth disease(HFMD)and remains a persistent global health concern,particularly among children under five years of age.Although most infections are self-limiting,a significant proportion can progress to severe neurological manifestations such as aseptic meningitis,encephalitis,and fatal pulmonary oedema.Despite substantial advances in research,no universally effective antiviral therapy or broadly protective vaccine has yet been developed.Drawing upon both foundational and recent studies,we evaluate the strength of existing evidence and delineate how these viral proteins cooperatively regulate viral entry,genome replication,immune evasion,autophagy,and host cell death.Special emphasis is placed on virus–host protein interactions,post-translational modifications,and the signaling pathways targeted by EV71 to subvert innate immune responses protein–protein interactions with host factors,post-translational modifications,and the molecular mechanisms by which EV71 subverts innate immune signaling pathways.By integrating structural,biochemical,and systems-level insights,this review pro-poses a unifying conceptual model of EV71 protein function,highlighting key molecular interfaces that underline viral replication and pathogenesis.The analysis also identifies critical knowledge gaps and emerging therapeutic targets,providing a forward-looking perspective on strategies for antiviral drug discovery,vaccine design,and host-directed interventions aimed at durable control of EV71 infection.This review was designed to critically synthesize current structural,molecular,and systems-level evidence to elucidate how EV71 structural and nonstructural proteins coordinate viral replication,immune evasion,and pathogenesis,and to identify priority targets for antiviral and vaccine development.
基金National Natural Science Foundation of China(52172010)。
摘要Rare earth silicates RE2SiO5(RE=rare earth)with significant applications as laser host,scintillator,thermal barrier coatings,and quantum memory devices,generally exhibit two distinct structural phases:X1-type(lower temperature,space group P21/c)and X2-type(higher temperature,space group C2/c).Each structure contains two unique sites hosting the rare earth ions,characterized by different coordination numbers(CNs).Theoretical calculations with the electronic structure and molecular dynamics software package CP2K were performed to better understand the structural stabilities of these compounds and the preferential site occupations of doping rare earth ions.The Gaussian basis set and the Perdew-Burke-Ernzerhof for solids(PBEsol)functional were employed due to their high computation speed and their reliable structural optimization results for solid materials.According to the results from theoretical calculations,it is found that the dispersion correction plays a vital role in correctly predicting the relative structural stability of the RE2SiO5 phases.Furthermore,the doping behaviors of rare earth ions with varying sizes in Y2SiO5 are systematically investigated.Our findings reveal that in both phases,Y1 site(CN=9 for X1-type,and CN=7 for X2-type)is preferentially occupied by larger ions like La3+,while smaller ions such as Sc3+demonstrate greater stability at Y2 site(CN=7 for X1-type,and CN=6 for X2-type).These results provide valuable insights into the structural properties and doping mechanisms of this class of crystals.
摘要SmCo7-xMx(M=Cu,Zr,Hf,Si,Ga)intermetallic compounds,with distinctive disordered crystal structure and excellent magnetic performance,are of great importance for application as high-temperature rare-earth permanent magnets.In this study,the relationship between the valence electronic structure,structural stability and magnetic and thermal properties of Sm(Co,M)7intermetallic compounds is revealed by using an empirical electron theory of solids and molecules.The structural stability is strongly related to the valence electronic structure that is modulated by doping the third element M into SmCo7.The calculated bond lengths,magnetic moments and Curie temperatures show good agreement with experimental ones.The magnetic moment and Curie temperature strongly depend on the number of 3d magnetic electrons,and can be modulated by mutual electron transformation between 3d magnetic electron and covalence electron.
基金supported by the Science and Technology Major Project of Shanxi Province,China(202201140601025-2,202302140601001)the Agricultural Science Research Project of Shanxi Agricultural University,China(2023BQ108)+1 种基金the Senior Foreign Experts Introducing Project,China(G202204011L)the Science and Technology Innovation Young Talent Team of Shanxi Province,China(202204051001019)。
摘要Structural variation is an important source of genetic variation in wheat and have been important in the evolution of the wheat's genome.Few studies have examined the relationship between structural variations and agronomy and drought tolerance.The present study identified structural chromosome variations(SCVs)in a doubled haploid(DH)population and backcross introgression lines(BC5F3)derived from Jinmai 47 and Jinmai 84 using fluorescence in situ hybridization(FISH).There are one simple translocation,10 present/absent variations(PAVs),and one copy number variation(CNV)between Jinmai 47 and Jinmai 84,which distributed in 10 chromosomes.Eight SCVs were associated with 15 agronomic traits.A PAV recombination occurred on chromosome 2A,which was associated with grain number per spike(GNS).The 1BL/1RS translocation and PAV.2D were associated with significant reductions in plant height,deriving from the effects on LI2-LI4,LI2-LI4 and UI,respectively respectively.PAV.2D was also contributed to an increase of 3.13%for GNS,1BL/1RS significantly increased spikelet number,grain length(GL),and grain thickness(GT).The effect of PAV.4A.1 on GL,PAV.6A on spike length(SL)and thousand-grain weight(TGW),PAV.6B on SL,GT and TGW were identified and verified.PAVs on chromosomes 2A,6A,1D,2D,and a CNV on chromosome 4B were associated with the drought tolerance coefficients.Additive and interaction effects among SCVs were observed.Many previously cloned key genes and yield-related QTL were found in polymorphic regions of PAV.2B,PAV.2D,and CNV.4B.Altogether,this study confirmed the genetic effect of SCVs on agronomy and drought tolerance,and identification of these SCVs will facilitate genetic improvement of wheat through marker-assisted selection.
基金supported by the National Key Research and Development Program of China(No.2024YFF0507000)the Ocean Negative Carbon Emissions(ONCE)Program,Taishan Scholar Program of Shandong Province(No.tstp20250703)Shandong Key Laboratory of Intelligent Marine Engineering Geology,Environment and Equipment(Qingdao 266237,People's R.China).
摘要Thallium(Tl) is a highly toxic trace metal,is present in various environments,such as soils,waters,and sediments.Hexagonal birnessites(HB),naturally occurring minerals,significantly influence metal geochemical cycling due to their strong ability to adsorb and oxidize toxic metals.Understanding the transformation mechanisms of HB into tunnel structures is crucial for predicting their impact on Tl's environmental fate.This study investigated the reactions between Tl(Ⅰ) and acidic birnessite(AcBi),a common form of HB,under different conditions.Tl(Ⅰ) was added to AcBi systems either as a single dose or in twelve equal increments across a pH range of 2 to 6,under both light and dark conditions.Continuous Tl(Ⅰ) additions at pH 4 transformed over 90 % of AcBi into a 2 × 2tunnel structure,while at pH 6,53 %-75 % transformed.At pH 2,intense proton competition inhibited structural reconfiguration.Single dose addition caused minor structural changes at pH 4 and none transformation at pH2 or 6.Illumination accelerated transformations,likely through photoinduced electron transfers.The oxidation state and adsorption coordination of Tl varied with mineral structure:Tl(Ⅲ) was predominantly found in layered structures,while dehydrated Tl(Ⅰ) dominated in tunnel structures,which retained Tl less effectively.These findings offer new insights into the environmental behaviors of these substances and informs strategies to manage thallium pollution.
基金supported by the National Key R&D Plan(Grant no.2021YFC2901805)National Natural Science Foundation of China(Grant no.42372114)+2 种基金Fundamental Research Funds for the Central Scientific Research Institutes(Grant no.DZLXJK202505)the Second Tibetan Plateau Scientific Expedition and Research(Grant no.2021QZKK0301)the China Geological Survey(Grant no.DD20240127)。
摘要The Jinqingding gold deposit in eastern Jiaodong is a significant gold mineralization within the Muping-Rushan metallogenic belt.This study integrates structural analysis and trace element geochemistry of sulphides to elucidate ore-controlling mechanisms and metallogenic models.The deposit occurs as pyrite-quartz veins and polymetallic sulphide veins/disseminations hosted in biotite monzonitic granite,controlled by the NNE-striking Jiangjunshi-Quhezhuang fault.Structural analysis reveals that mineralization was controlled by conjugate shear joints,tension fractures,and enéchelon faults formed under a tectonic stress field withσ1oriented NE-SW.LA-ICP-MS trace element analysis of pyrite reveals dual geochemical affinities—high-temperature magmatic signatures(elevated Co,Ni,Ti)and medium-low temperature hydrothermal signals(enriched As,Pb,Bi)—suggesting episodic fluid inputs from magmatic-hydrothermal and meteoric sources.Rare earth elements(REEs)are low in pyrite and show slight LREE enrichment.The results suggest that the main ore-controlling structures formed under a stress field withσ1oriented NE-SW during the Early Cretaceous,and the mineralization may be related to episodic fluid pulses,as reflected by the changes in trace elements during the crystallization of pyrite.Furthermore,this study reveals an NEE-trending set of potential ore-controlling structures for epizonal gold mineralization,which is of great significance for regional gold exploration in Jiaodong.
基金mainly supported by the Natural Science Foundation of China (Grant Nos. 52288102, 52090020, and 52372261)the Natural Science Foundation of Hebei Province (Grant No. E202403045)+1 种基金the S&T Program of Hebei (Grant No. 225A1102D)the Ministry of Education Chang Jiang Scholar Professor Program (Grant No. T2022241)
摘要Recent advances in geoscience have underscored the critical role of abiogenic processes in petroleum formation,especially the formation and polymerization of methane.However,whether a direct carbon-H2 reaction can produce C2+hydrocarbons(e.g.,ethane and propane)beyond methane remains an open question.Here,we demonstrate the direct synthesis of ethane and propane via reactions between amorphous carbon and H2 under upper mantle conditions(2-10 GPa and 800-1200℃).A systematic investigation reveals that increasing structural disorder in carbon precursors,from graphite to glassy carbon-Ⅱ and carbon black,enhances the production of C2-C3 hydrocarbons.Through integrated X-ray diffraction and reverse Monte Carlo simulations,we establish that the continuous random atomic network structures in amorphous carbon enable one-step synthesis of heavy hydrocarbons with H2.These models establish a direct link between atomic-scale carbon structures and the one-step synthesis of C2+ hydrocarbons under H2-rich,high-pressure,and high-temperature conditions—potentially revealing an efficient mechanism for the abiotic production of C2+ hydrocarbons in the upper mantle.
基金supported by the National Natural Science Foundation of China(Nos.12405194 and 52276052)the National Key R&D Program of China(Nos.2024YFE03230200 and 2022YFE03160002)the Natural Science Foundation of Chongqing,China(No.CSTB2025NSCQ-GPX0761)。
摘要To accelerate the development and utilization of fusion energy,the China Fusion Engineering Test Reactor(CFETR)has been proposed as a bridge between the International Thermonuclear Experimental Reactor and demonstration fusion reactors.The primary objective of the CFETR is to achieve fusion energy transformation and tritium self-sufficiency,which is realized through the function of the blanket.In this study,a neutronicshermal-hydraulics/mechanics coupling method is developed and applied to a helium-cooled ceramic breeder(HCCB)blanket,which is one of the two blanket candidates for the CFETR.A three-dimensional full-scale model is utilized in the coupling analysis to obtain the distributions of the neutronic,thermal-hydraulic,and mechanical parameters.A structural assessment of the CFETR HCCB blanket is then conducted considering steady-state conditions and two transient scenarios.The results demonstrate that following optimization of the blanket structure,the maximum temperatures of the different components remain below the safety limit of the corresponding materials.The structural assessment indicates that the blanket maintains its structural integrity under steady-state conditions.However,immediately after an in-box loss-of-coolant accident,structural failure owing to stress concentration may occur.Additionally,in the early stage of a loss-of-flow accident,the stress at the joint point between the cooling plate and cap exceeds the allowable stress of the material,potentially leading to structural failure within 17 s if no protective response is implemented.These findings provide comprehensive insights into the performance and safety of the CFETR HCCB blanket design.
基金funding support from the National Natural Science Foundation of China(Grant No.52222810)China Postdoctoral Science Foundation(Grant No.2024M760371).
摘要The hard structural plane exerts a significantcontrolling effect on high-stress geological hazards in deep tunnels.Rapid and accurate acquisition of information on the hard structural planes is crucial for hazard assessment,early warning,and control.First,the challenges of machine vision-based recognition of hard structural planes in deep tunnels were analyzed.Then,an adaptive illumination correction algorithm was developed to mitigate the adverse effects of lighting on the recognition of hard structural planes.Subsequently,a hard structural plane recognition algorithm integrating joint-local completion and YOLOv8 was established based on the developmental characteristics of hard structural planes,in order to address the challenge of discontinuous exposure of hard structural planes on the tunnel face.Finally,the model's performance was validated based on a deep tunnel project.The results indicate that by applying a preprocessing method combining a two-dimensional gamma function with adaptive nonlinear enhancement for uneven illumination correction,the adverse effects of lighting on hard structural plane recognition were significantlymitigated.The precision(P)increased by 7.03%,while the accuracy(Acc)improved by 4.43%.An identificationmethod incorporating automatic completion of discontinuous joints was established,which allows for the complete extraction of hard structural plane traces.The recognition accuracy increased by 8.49%.Through application of the proposed intelligent identificationmethod at the section DK196+600–700 of a deep tunnel,81.25%of the hard structural planes were completely recognized.The results can address the challenge of rapid,accurate,and noncontact recognition of hard structural planes in deep tunnels,providing a foundation for intelligent hazard assessment.
基金supported by the National Natural Science Foundation of China(Grant No.52274292)the Outstanding Youth Foundation of Hubei Province(Grant No.2020CFA090)+2 种基金the Natural Science Foundation of Hubei Province(Grant No.2025AFB376)the China Postdoctoral Science Foundation(Grant No.2025M770148)the Young Top-notch Talent Cultivation Program of Hubei Province。
摘要Size-controllable Sn nanoparticles are designed in this work via oxide doping to be uniformly embedded into flexible N-doped carbon nanofibers,in which the agglomeration and migration of Sn are effectively restrained due to the suppressive effect of selected oxides,including SiO2,TiO2,and ZnO.Benefiting from unique merits of the embedment structure,such as ultrahigh aspect ratio,superior adhesion,and ideal stability,the flexible freestanding and highly robust electrode(Sn/TiO2@C,STC)is fabricated and exhibits a reversible specific capacity of 968.4 mAh g-1after 100 cycles at 0.1 A g-1.Moreover,the STC electrode contributes to a cycle lifespan of over 1000 cycles with a high specific capacity of 519.7 mAh g-1at 1.0 A g-1and a capacity decay as low as 0.00185%per cycle.Remarkably,practical application potential of the STC electrode was demonstrated by being assembled into a pouch cell,which not only works stably under bending states but also presents a specific capacity of 954.8 mAh g-1after 150 cycles at 0.1 A g-1.This composite fiber anode avoids extra use of polymer binder,current collector,and conductive additive,and exhibits a great potential in the practical application of flexible energy storage devices.