Shale gas production involves complex gas-water two-phase flow,with flow patterns in proppant-filled fractures playing a critical role in determining production efficiency.In this study,3D geometric models of 40/70 me...Shale gas production involves complex gas-water two-phase flow,with flow patterns in proppant-filled fractures playing a critical role in determining production efficiency.In this study,3D geometric models of 40/70 mesh ceramic particles and quartz sand proppant clusters were elaborated using computed tomography(CT)scanning.These models were used to develop a numerical simulation framework based on the lattice Boltzmann method(LBM),enabling the investigation of gas-water flow behavior within proppant-filled fractures under varying driving forces and surface tensions.Simulation results at a closure pressure of 15 MPa have revealed that ceramic particles exhibit a simpler and more porous internal structure than quartz sand of the same size.Under identical flow conditions,ceramic proppants demonstrate higher fluid replacement efficiency.Replacement efficiency increases with higher porosity,greater driving force,and lower surface tension.Furthermore,fluid displacement is strongly influenced by pore geometry:flow is faster in straighter and wider channels,with preferential movement through larger pores forming dominant flow paths.The replacement velocity exhibits a characteristic time evolution,initially rapid,then gradually decreasing,correlating positively with the development of these dominant channels.展开更多
Gas-liquid two-phase flow in fractal porous media is pivotal for engineering applications,yet it remains challenging to be accurately characterized due to complex microstructure-flow interactions.This study establishe...Gas-liquid two-phase flow in fractal porous media is pivotal for engineering applications,yet it remains challenging to be accurately characterized due to complex microstructure-flow interactions.This study establishes a pore-scale numerical framework integratingMonte Carlo-generated fractal porousmedia with Volume of Fluid(VOF)simulations to unravel the coupling among pore distribution characterized by fractal dimension(Df),flow dynamics,and displacement efficiency.A pore-scale model based on the computed tomography(CT)microstructure of Berea sandstone is established,and the simulation results are compared with experimental data.Good agreement is found in phase distribution,breakthrough behavior,and flow path morphology,confirming the reliability of the numerical simulation method.Ten fractal porous media models with Df ranging from 1.25~1.7 were constructed using a Monte-Carlo approach.The gas-liquid two-phase flow dynamics was characterized using the VOF solver across gas injection rates of 0.05-5m/s,inwhich the time-resolved two-phase distribution patternswere systematically recorded.The results reveal that smaller fractal dimensions(Df=1.25~1.45)accelerate fingering breakthrough(peak velocity is 1.73 m/s at Df=1.45)due to a bimodal pore size distribution dominated by narrow channels.Increasing Df amplifies vorticity generation by about 3 times(eddy viscosity is 0.033 Pa⋅s at Df=1.7)through reduced interfacial curvature,while tortuosity-driven pressure differentials transition from sharp increases(0.4~6.3 Pa at Df=1.25~1.3)to inertial plateaus(4.8 Pa at Df=1.7).A nonlinear increase in equilibrium gas volume fraction(fav=0.692 at Df=1.7)emerges from residual gas saturation and turbulence-enhanced dispersion.This behavior is further modulated by flow velocity,with fav peaking at 0.72 under capillary-dominated conditions(0.05 m/s),but decreasing to 0.65 in the inertial regime(0.5 m/s).The work quantitatively links fractal topology to multiphase flow regimes,demonstrating the critical role of Df in governing preferential pathways,energy dissipation,and phase distribution.展开更多
The two-phase flow in porous media is affected by multiple factors.In the present study,a two-dimensional numerical model of porous media was developed using the actual pore structure of the core sample.The phase fiel...The two-phase flow in porous media is affected by multiple factors.In the present study,a two-dimensional numerical model of porous media was developed using the actual pore structure of the core sample.The phase field method was utilized to simulate the impact of displacement velocity,the water-gas viscosity ratio,and the density ratio on the flow behavior of two-phase fluids in porous media.The effectiveness of displacement was evaluated by analyzing CO_(2)saturation levels.The results indicate that the saturation of CO_(2)in porous media increased as the displacement velocity increased.When the displacement velocity exceeded 0.01 m/s,there was a corresponding increase in CO_(2)saturation.Conversely,when the displacement velocity was below this threshold,the impact on CO_(2)saturation was minimal.An“inflection point,”M3,was present in the viscosity ratio.When the viscosity of CO_(2)is less than 8.937×10^(-5)Pa·s(viscosity ratio below M3),variations in the viscosity of CO_(2)had little impact on its saturation.Conversely,when the viscosity of CO_(2)exceeded 8.937×10^(-5)Pa·s(viscosity ratio greater than M3),saturation increased with an increase in the viscosity ratio.In terms of the density ratio,the saturation of CO_(2)increased monotonically with an increase in the density ratio.Similarly,increasing density ratios resulted in a monotonic increase in CO_(2)saturation,though this trend was less pronounced in numerical simulations.Analysis results of displacement within dead-end pores using pressure and velocity diagrams reveal eddy currents as contributing factors.Finally,the impact of pore throat structure on the formation of dominant channels was examined.展开更多
Carbon isotope fractionation served as a key geochemical indicator for understanding shale gas storage and migration.However,the detailed mechanism of the fractionation behaviors of methane isotopes(^(12)CH_(4)/^(13)C...Carbon isotope fractionation served as a key geochemical indicator for understanding shale gas storage and migration.However,the detailed mechanism of the fractionation behaviors of methane isotopes(^(12)CH_(4)/^(13)CH_(4))was still limited,especially under two-phase flow.This study employed molecular dynamics(MD)simulations to investigate water-mediated nonlinear isotope transport in 3 nm hydrophilic silica nanopores,highlighting gas-liquid-solid interfacial effects on fractionation mechanisms.Simulations of different water saturation(0%-44.66%)showed a critical hydration threshold of 30.44%at a pressure gradient of 20 MPa.Below this threshold,continuous water film formed on pore walls,which transformed the gas transport from surface diffusion to viscous flow through gas-liquid interactions,while hydrogen bonds in the water film weakened gas-solid slip effects.However,when water saturation exceeded 30.44%,the formation of water bridges blocked the mobility of isotopic gases.The water film reduced the depth of solid-gas potential wells,leading to diminished adsorption capacity for isotopic gases,and lowered the surface roughness of pore walls(as characterized by potential energy surface,PES).Additionally,the water film enhanced the Knudsen diffusion effect of isotope gases due to the decrease in effective pore size.As a result,the formation of water film intensified methane isotopic fractionation,which was manifested as a decrease in the^(13)CH_(4)/^(12)CH_(4)diffusion coefficient ratio(D∗/D)from 0.975 to 0.942 and an increase in isotopic enthalpy differences(Δh_(^(12)C)_^(13)C) from 0.105 to 1.139 J/m^(3).Furthermore,in the gas-liquid-solid interfacial system,an elevated pressure differential modified the relative motion velocities among the methane-water-pore surface,resulting a non-monotonic isotopic fractionation trend(initial increase followed by decrease).These findings provided molecular-level insights into the complex isotopic fractionation in shale gas systems.展开更多
Biot-flow and squirt-flow are the two most important fluid flow mechanisms in porous media containing fluids. Based on the BISQ （Biot-Squirt） model where the two mechanisms are treated simultaneously, the elastic wa...Biot-flow and squirt-flow are the two most important fluid flow mechanisms in porous media containing fluids. Based on the BISQ （Biot-Squirt） model where the two mechanisms are treated simultaneously, the elastic wave-field simulation in the porous medium is limited to two-dimensions and two-components （2D2C） or two-dimensions and three-components （2D3C）. There is no previous report on wave simulation in three- dimensions and three-components. Only through three dimensional numerical simulations can we have an overall understanding of wave field coupling relations and the spatial distribution characteristics between the solid and fluid phases in the dual-phase anisotropic medium. In this paper, based on the BISQ equation, we present elastic wave propagation in a three dimensional dual-phase anisotropic medium simulated by the staggered-grid high-order finite-difference method. We analyze the resulting wave fields and show that the results are an improvement.展开更多
The gas-droplet two-phase reacting flow in a model combustor with the V-gutter flame holder is studied by an Eulerian-Lagrangian large-eddy simulation (LES) approach. The k-equation subgrid-scale model is used to simu...The gas-droplet two-phase reacting flow in a model combustor with the V-gutter flame holder is studied by an Eulerian-Lagrangian large-eddy simulation (LES) approach. The k-equation subgrid-scale model is used to simulate the subgrid eddy viscosity, and the eddy-break-up (EBU) combustion subgrid-scale model is used to determine the chemical reaction rate. A two-step turbulent combustion subgrid-scale model is employed for calculating carbon monoxide CO concentration, and the NO subgrid-scale pollutant formation model for the evaluation of the rate of NO formation. The heat flux model is applied to the prediction of radiant heat transfer. The gas phase is solved with the SIMPLE algorithm and a hybrid scheme in the staggered grid system. The liquid phase equations are solved in a Lagrangian frame in reference of the particle-source-in-cell (PSIC) algorithm. From simulation results, the exchange of mass, moment and energy between gas and particle fields for the reacting flow in the afterburner with a V-gutter flame holder can be obtained. By the comparison of experimental and simulation results, profile temperature and pollutant of the outlet are quite in agreement with experimental data. Results show that the LES approach for predicting the two-phase instantaneous reacting flow and pollutant emissions in the afterburner is feasible.展开更多
In order to speed underwater launch of minor-caliber weapons,a sealing device can be set in front of underwater muzzle to separate water,preventing the muzzle from water immersion.By establishing and simplifying the m...In order to speed underwater launch of minor-caliber weapons,a sealing device can be set in front of underwater muzzle to separate water,preventing the muzzle from water immersion.By establishing and simplifying the model of underwater weapon sealing device and unstructured mesh computing domain model based on computational fluid dynamics（CFD）,dynamic mesh and user defined function（UDF）,the N-S equation is solved and the numerical analysis and calculation of the complex two-phase flow inside the sealing device are carried out.The results show that the gas discharged from the sealing device is conducive to the formation of the projectile supercavity.When the projectile is launched at 5munder water,the shock wave before and after the projectile has impact on the box body up to 100 MPa,therefore the sealing device must be strong enough.The research results have the vital significance to the design of underwater weapon sealing device and the formation of the projectile supercavitation.展开更多
Wire arc additive manufacturing(WAAM)has emerged as a promising approach for fabricating large-scale components.However,conventional WAAM still faces challenges in optimizing microstructural evolution,minimizing addit...Wire arc additive manufacturing(WAAM)has emerged as a promising approach for fabricating large-scale components.However,conventional WAAM still faces challenges in optimizing microstructural evolution,minimizing additive-induced defects,and alleviating residual stress and deformation,all of which are critical for enhancing the mechanical performance of the manufactured parts.Integrating interlayer friction stir processing(FSP)into WAAM significantly enhances the quality of deposited materials.However,numerical simulation research focusing on elucidating the associated thermomechanical coupling mechanisms remains insufficient.A comprehensive numerical model was developed to simulate the thermomechanical coupling behavior in friction stir-assisted WAAM.The influence of post-deposition FSP on the coupled thermomechanical response of the WAAM process was analyzed quantitatively.Moreover,the residual stress distribution and deformation behavior under both single-layer and multilayer deposition conditions were investigated.Thermal analysis of different deposition layers in WAAM and friction stir-assisted WAAM was conducted.Results show that subsequent layer deposition induces partial remelting of the previously solidified layer,whereas FSP does not cause such remelting.Furthermore,thermal stress and deformation analysis confirm that interlayer FSP effectively mitigates residual stresses and distortion in WAAM components,thereby improving their structural integrity and mechanical properties.展开更多
Underwater gas-liquid two-phase propulsion technology is an emerging propulsion method that offers high efficiency and unrestricted navigation speed.The integration of this technology into water ramjet engines can sig...Underwater gas-liquid two-phase propulsion technology is an emerging propulsion method that offers high efficiency and unrestricted navigation speed.The integration of this technology into water ramjet engines can significantly enhance propulsion efficiency and holds substantial potential for broad applications.However,forming a gas-liquid two-phase flow within the nozzle requires introducing a large amount of rammed seawater.At this time,there is a complex phase transition problem of combustion products in the combustion chamber,which makes the thermodynamic calculation for gas-liquid two-phase water ramjet engines particularly challenging.This paper proposes a thermodynamic calculation method for gas-liquid two-phase water ramjet engines,based on the energy equation for gas-liquid two-phase flow and traditional thermodynamic principles,enabling thermodynamic calculations under conditions of ultra-high water-fuel ratios.Additionally,ground ignition tests of the gas-liquid two-phase engine were conducted,yielding critical engine test parameters.The results demonstrate that the gas-liquid two-phase water ramjet engine achieves a high specific impulse,with a theoretical maximum specific impulse of up to 7000(N s)/kg.The multiphase flow effects significantly impact engine performance,with specific impulse losses reaching up to 25.86%.The error between the thrust and specific impulse in the ground test and the theoretical values is within 10%,validating the proposed thermodynamic calculation method as a reliable reference for further research on gas-liquid two-phase water ramjet engines.展开更多
In permafrost regions of the QinghaiXizang Plateau,embankments of the Qinghai-Xizang Highway and Qinghai-Xizang Railway experiencing roadside water accumulation exhibit more pronounced engineering deteriorations.A wid...In permafrost regions of the QinghaiXizang Plateau,embankments of the Qinghai-Xizang Highway and Qinghai-Xizang Railway experiencing roadside water accumulation exhibit more pronounced engineering deteriorations.A widely accepted view is that the accumulated water adjacent to the embankment possesses substantial thermal energy,which accelerates the degradation-even disappearance-of the underlying permafrost.Moreover,the presence of roadside water keeps the embankment soil in a persistently high-moisture state,thereby making the frozen-soil embankment more susceptible to deformation under traffic loading.However,in the permafrost regions of the QinghaiXizang Plateau,deteriorations of embankments affected by roadside water are more commonly manifested as undulating pavement surfaces,and extensive crack networks appear on the embankment crest even where thermosyphons are installed.These manifestations are not fully consistent with the deterioration mechanisms proposed by existing viewpoints.We propose the hypothesis that temperature gradients,formed due to the freezing and thawing processes between the roadside wateraffected soil and the roadbed soil,lead to moisture migration under the influence of temperature gradients,resulting in frost heave and thaw settlement in the roadbed soil.To validate this hypothesis,we conducted the following investigations sequentially.Initially,we selected a roadbed with a thermosyphon(TPCT)system,which has a significant cooling effect,as the study object.By analyzing the temperature monitoring data of the roadbed section,the temperature variance was calculated to identify the time nodes where the temperature gradient of the roadbed soil was maximum and minimum.Subsequently,corresponding roadbed temperature distribution maps were drawn,illustrating the changes in the temperature and position of the lowtemperature core near the TPCT over time.Furthermore,using small-scale indoor model experiments,we qualitatively concluded that moisture in the soil migrates toward the TPCT due to the temperature gradient.Thereafter,combining borehole water content data and precipitation data from the sloped terrain construction site,the formation mechanisms and timing characteristics of roadside water accumulation were analyzed.Ultimately,by integrating the ground temperature data,air temperature data,roadside water formation mechanisms,and the operating characteristics of the TPCT,it was concluded that roadside water,while in a thawed state during TPCT operation,acts as a supplementary source for moisture migration in the roadbed soil.This migration leads to cracking in the TPCT roadbed.Therefore,this study reveals a novel damage mechanism:asynchronous freeze-thaw processes induce temperature gradients,which drive the migration of roadside water into the roadbed and are responsible for the cracking damage.展开更多
The F_(1)-ATPase and V_(1)-ATPase are rotary biomotors.Alignment of their amino acid sequences,which originate from bovine heart mitochondria(1BMF)and Enterococcus hirae(3VR6),respectively,demonstrates that the segmen...The F_(1)-ATPase and V_(1)-ATPase are rotary biomotors.Alignment of their amino acid sequences,which originate from bovine heart mitochondria(1BMF)and Enterococcus hirae(3VR6),respectively,demonstrates that the segment forming the ATP catalytic pocket is highly conserved.Single-molecule experiments,however,have revealed subtle differences in efficiency between the F_(1) and V_(1) motors.Here,we perform both atomistic and coarse-grained molecular dynamics simulations to investigate the mechanochemical coupling and coordination in F_(1) and V_(1) ATPase.Our results show that the correlation between conformational changes in F_(1) is stronger than that in V_(1),indicating that the mechanochemical coupling in F_(1) is tighter than in V_(1).Moreover,the unidirectional rotation of F_(1) is more processive than that of V_(1),which accounts for the higher efficiency observed in F_(1) and explains the occasional backward steps detected in single-molecule experiments on V_(1).展开更多
The rapid advancement of machine learning based tight-binding Hamiltonian(MLTB)methods has opened new avenues for efficient and accurate electronic structure simulations,particularly in large-scale systems and long-ti...The rapid advancement of machine learning based tight-binding Hamiltonian(MLTB)methods has opened new avenues for efficient and accurate electronic structure simulations,particularly in large-scale systems and long-time scenarios.This review begins with a concise overview of traditional tight-binding(TB)models,including both(semi-)empirical and first-principles approaches,establishing the foundation for understanding MLTB developments.We then present a systematic classification of existing MLTB methodologies,grouped into two major categories:direct prediction of TB Hamiltonian elements and inference of empirical parameters.A comparative analysis with other ML-based electronic structure models is also provided,highlighting the advancement of MLTB approaches.Finally,we explore the emerging MLTB application ecosystem,highlighting how the integration of MLTB models with a diverse suite of post-processing tools from linear-scaling solvers to quantum transport frameworks and molecular dynamics interfaces is essential for tackling complex scientific problems across different domains.The continued advancement of this integrated paradigm promises to accelerate materials discovery and open new frontiers in the predictive simulation of complex quantum phenomena.展开更多
Vitrimers belong to a class of polymeric materials capable of bond exchange reactions,showing great promise for environmental protection and sustainable development.However,studies on the coupling mechanism between th...Vitrimers belong to a class of polymeric materials capable of bond exchange reactions,showing great promise for environmental protection and sustainable development.However,studies on the coupling mechanism between the bond exchange kinetics and segmental dynamics near the glass transition temperature(T_(g))remain scarce.Herein,we employed molecular dynamics simulations to investigate the dynamic heterogeneity of the segment motion and bond exchange in vitrimers.The simulation results revealed that the bond exchange energy barrier exerts a much stronger influence on the bond exchange kinetics than on the segmental dynamics.At lower temperatures,slower segmental relaxation further constraind the bond exchange rate.Additionally,increasing the bond exchange energy barrier markedly enhanced the dynamic heterogeneity of segment motion.A close correlation was observed between heterogeneity and bond exchange.This study elucidated the coupling mechanism between bond exchange and segmental dynamics at the molecular scale,thereby providing a theoretical basis for designing vitrimer materials with tunable dynamic properties.展开更多
In federated learning,backdoor attacks have become an important research topic with their wide application in processing sensitive datasets.Since federated learning detects or modifies local models through defense mec...In federated learning,backdoor attacks have become an important research topic with their wide application in processing sensitive datasets.Since federated learning detects or modifies local models through defense mechanisms during aggregation,it is difficult to conduct effective backdoor attacks.In addition,existing backdoor attack methods are faced with challenges,such as low backdoor accuracy,poor ability to evade anomaly detection,and unstable model training.To address these challenges,a method called adaptive simulation backdoor attack(ASBA)is proposed.Specifically,ASBA improves the stability of model training by manipulating the local training process and using an adaptive mechanism,the ability of the malicious model to evade anomaly detection by combing large simulation training and clipping,and the backdoor accuracy by introducing a stimulus model to amplify the impact of the backdoor in the global model.Extensive comparative experiments under five advanced defense scenarios show that ASBA can effectively evade anomaly detection and achieve high backdoor accuracy in the global model.Furthermore,it exhibits excellent stability and effectiveness after multiple rounds of attacks,outperforming state-of-the-art backdoor attack methods.展开更多
UHMWPE fibers exhibit impressive modulus and strength,but they have not reached their theoretical limits.Researchers focus on molecular weight,orientation,and crystallinity of UHMWPE,yet their contributions to mechani...UHMWPE fibers exhibit impressive modulus and strength,but they have not reached their theoretical limits.Researchers focus on molecular weight,orientation,and crystallinity of UHMWPE,yet their contributions to mechanical properties are unclear.Molecular dynamics simulations are valuable but often limited by computational constraints.Our aim is to simulate higher molecular weights to better represent real UHMWPE fibers.We used Packmol and Polyply methodologies to construct PE systems,with Polyply reproducing more reasonable properties of UHMWPE fibers.Additionally,tensile simulations showed that orientation and crystallinity greatly impact Young's modulus more than molecular weight.Energy decomposition indicated that higher molecular weights lead to covalent bonds that can withstand more energy during stretching,thus increasing breaking strength.Combining simulations with machine learning,we found that orientation has the most significant impact on Young's modulus,contributing 60%,and molecular weight plays the most crucial role in determining the breaking strength,accounting for 65%.This study provides a theoretical basis and guidelines for enhancing UHMWPE's modulus and strength.展开更多
In recent years,three-dimensional reconstruction technologies that employ multiple cameras have continued to evolve significantly,enabling remote collaboration among users in extended Reality(XR)environments.In additi...In recent years,three-dimensional reconstruction technologies that employ multiple cameras have continued to evolve significantly,enabling remote collaboration among users in extended Reality(XR)environments.In addition,methods for deploying multiple cameras for motion capture of users(e.g.,performers)are widely used in computer graphics.As the need to minimize and optimize the number of cameras grows to reduce costs,various technologies and research approaches focused on Optimal Camera Placement(OCP)are continually being proposed.However,as most existing studies assume homogeneous camera setups,there is a growing demand for studies on heterogeneous camera setups.For instance,technical demands keep emerging in scenarios with minimal camera configurations,especially regarding cost factors,the physical placement of cameras given the spatial structure,and image capture strategies for heterogeneous cameras,such as high-resolution RGB cameras and depth cameras.In this study,we propose a pre-visualization and simulation method for the optimal placement of heterogeneous cameras in XR environments,accounting for both the specifications of heterogeneous cameras(e.g.,field of view)and the physical configuration(e.g.,wall configuration)in real-world spaces.The proposed method performs a visibility analysis of cameras by considering each camera’s field-of-view volume,resolution,and unique characteristics,along with physicalspace constraints.This approach enables the optimal position and rotation of each camera to be recommended,along with the minimum number of cameras required.In the results of our study conducted in heterogeneous camera combinations,the proposed method achieved 81.7%~82.7%coverage of the target visual information using only 2~3 cameras.In contrast,single(or homogeneous)-typed cameras were required to use 11 cameras for 81.6%coverage.Accordingly,we found that camera deployment resources can be reduced with the proposed approaches.展开更多
文摘Shale gas production involves complex gas-water two-phase flow,with flow patterns in proppant-filled fractures playing a critical role in determining production efficiency.In this study,3D geometric models of 40/70 mesh ceramic particles and quartz sand proppant clusters were elaborated using computed tomography(CT)scanning.These models were used to develop a numerical simulation framework based on the lattice Boltzmann method(LBM),enabling the investigation of gas-water flow behavior within proppant-filled fractures under varying driving forces and surface tensions.Simulation results at a closure pressure of 15 MPa have revealed that ceramic particles exhibit a simpler and more porous internal structure than quartz sand of the same size.Under identical flow conditions,ceramic proppants demonstrate higher fluid replacement efficiency.Replacement efficiency increases with higher porosity,greater driving force,and lower surface tension.Furthermore,fluid displacement is strongly influenced by pore geometry:flow is faster in straighter and wider channels,with preferential movement through larger pores forming dominant flow paths.The replacement velocity exhibits a characteristic time evolution,initially rapid,then gradually decreasing,correlating positively with the development of these dominant channels.
基金funded by the National Key R&D Program of China,China(Grant No.2023YFB4005500)National Natural Science Foundation of China,China(Grant Nos.52379113 and 52379114).
文摘Gas-liquid two-phase flow in fractal porous media is pivotal for engineering applications,yet it remains challenging to be accurately characterized due to complex microstructure-flow interactions.This study establishes a pore-scale numerical framework integratingMonte Carlo-generated fractal porousmedia with Volume of Fluid(VOF)simulations to unravel the coupling among pore distribution characterized by fractal dimension(Df),flow dynamics,and displacement efficiency.A pore-scale model based on the computed tomography(CT)microstructure of Berea sandstone is established,and the simulation results are compared with experimental data.Good agreement is found in phase distribution,breakthrough behavior,and flow path morphology,confirming the reliability of the numerical simulation method.Ten fractal porous media models with Df ranging from 1.25~1.7 were constructed using a Monte-Carlo approach.The gas-liquid two-phase flow dynamics was characterized using the VOF solver across gas injection rates of 0.05-5m/s,inwhich the time-resolved two-phase distribution patternswere systematically recorded.The results reveal that smaller fractal dimensions(Df=1.25~1.45)accelerate fingering breakthrough(peak velocity is 1.73 m/s at Df=1.45)due to a bimodal pore size distribution dominated by narrow channels.Increasing Df amplifies vorticity generation by about 3 times(eddy viscosity is 0.033 Pa⋅s at Df=1.7)through reduced interfacial curvature,while tortuosity-driven pressure differentials transition from sharp increases(0.4~6.3 Pa at Df=1.25~1.3)to inertial plateaus(4.8 Pa at Df=1.7).A nonlinear increase in equilibrium gas volume fraction(fav=0.692 at Df=1.7)emerges from residual gas saturation and turbulence-enhanced dispersion.This behavior is further modulated by flow velocity,with fav peaking at 0.72 under capillary-dominated conditions(0.05 m/s),but decreasing to 0.65 in the inertial regime(0.5 m/s).The work quantitatively links fractal topology to multiphase flow regimes,demonstrating the critical role of Df in governing preferential pathways,energy dissipation,and phase distribution.
基金National Science Foundation of China,Grant/Award Number:5227090113Shenzhen Science and Technology Program,Grant/Award Numbers:KCXFZ20230731093901003,KCXFZ20211020163816023The Project of Hetao Shenzhen-Hong Kong Science and Technology Innovation Cooperation Zone,Grant/Award Number:HZQB-KCZYB-2020083。
文摘The two-phase flow in porous media is affected by multiple factors.In the present study,a two-dimensional numerical model of porous media was developed using the actual pore structure of the core sample.The phase field method was utilized to simulate the impact of displacement velocity,the water-gas viscosity ratio,and the density ratio on the flow behavior of two-phase fluids in porous media.The effectiveness of displacement was evaluated by analyzing CO_(2)saturation levels.The results indicate that the saturation of CO_(2)in porous media increased as the displacement velocity increased.When the displacement velocity exceeded 0.01 m/s,there was a corresponding increase in CO_(2)saturation.Conversely,when the displacement velocity was below this threshold,the impact on CO_(2)saturation was minimal.An“inflection point,”M3,was present in the viscosity ratio.When the viscosity of CO_(2)is less than 8.937×10^(-5)Pa·s(viscosity ratio below M3),variations in the viscosity of CO_(2)had little impact on its saturation.Conversely,when the viscosity of CO_(2)exceeded 8.937×10^(-5)Pa·s(viscosity ratio greater than M3),saturation increased with an increase in the viscosity ratio.In terms of the density ratio,the saturation of CO_(2)increased monotonically with an increase in the density ratio.Similarly,increasing density ratios resulted in a monotonic increase in CO_(2)saturation,though this trend was less pronounced in numerical simulations.Analysis results of displacement within dead-end pores using pressure and velocity diagrams reveal eddy currents as contributing factors.Finally,the impact of pore throat structure on the formation of dominant channels was examined.
基金support from the National Natural Science Foundation of China,China(Grant 51776132)the Key Laboratory of Coalbed Methane Resources and Reservoir Formation Process of the Ministry of Education(China University of Mining and Technology)(No.2024-007).
文摘Carbon isotope fractionation served as a key geochemical indicator for understanding shale gas storage and migration.However,the detailed mechanism of the fractionation behaviors of methane isotopes(^(12)CH_(4)/^(13)CH_(4))was still limited,especially under two-phase flow.This study employed molecular dynamics(MD)simulations to investigate water-mediated nonlinear isotope transport in 3 nm hydrophilic silica nanopores,highlighting gas-liquid-solid interfacial effects on fractionation mechanisms.Simulations of different water saturation(0%-44.66%)showed a critical hydration threshold of 30.44%at a pressure gradient of 20 MPa.Below this threshold,continuous water film formed on pore walls,which transformed the gas transport from surface diffusion to viscous flow through gas-liquid interactions,while hydrogen bonds in the water film weakened gas-solid slip effects.However,when water saturation exceeded 30.44%,the formation of water bridges blocked the mobility of isotopic gases.The water film reduced the depth of solid-gas potential wells,leading to diminished adsorption capacity for isotopic gases,and lowered the surface roughness of pore walls(as characterized by potential energy surface,PES).Additionally,the water film enhanced the Knudsen diffusion effect of isotope gases due to the decrease in effective pore size.As a result,the formation of water film intensified methane isotopic fractionation,which was manifested as a decrease in the^(13)CH_(4)/^(12)CH_(4)diffusion coefficient ratio(D∗/D)from 0.975 to 0.942 and an increase in isotopic enthalpy differences(Δh_(^(12)C)_^(13)C) from 0.105 to 1.139 J/m^(3).Furthermore,in the gas-liquid-solid interfacial system,an elevated pressure differential modified the relative motion velocities among the methane-water-pore surface,resulting a non-monotonic isotopic fractionation trend(initial increase followed by decrease).These findings provided molecular-level insights into the complex isotopic fractionation in shale gas systems.
基金National Natural Science Foundation (Project number 40604013).
文摘Biot-flow and squirt-flow are the two most important fluid flow mechanisms in porous media containing fluids. Based on the BISQ （Biot-Squirt） model where the two mechanisms are treated simultaneously, the elastic wave-field simulation in the porous medium is limited to two-dimensions and two-components （2D2C） or two-dimensions and three-components （2D3C）. There is no previous report on wave simulation in three- dimensions and three-components. Only through three dimensional numerical simulations can we have an overall understanding of wave field coupling relations and the spatial distribution characteristics between the solid and fluid phases in the dual-phase anisotropic medium. In this paper, based on the BISQ equation, we present elastic wave propagation in a three dimensional dual-phase anisotropic medium simulated by the staggered-grid high-order finite-difference method. We analyze the resulting wave fields and show that the results are an improvement.
文摘The gas-droplet two-phase reacting flow in a model combustor with the V-gutter flame holder is studied by an Eulerian-Lagrangian large-eddy simulation (LES) approach. The k-equation subgrid-scale model is used to simulate the subgrid eddy viscosity, and the eddy-break-up (EBU) combustion subgrid-scale model is used to determine the chemical reaction rate. A two-step turbulent combustion subgrid-scale model is employed for calculating carbon monoxide CO concentration, and the NO subgrid-scale pollutant formation model for the evaluation of the rate of NO formation. The heat flux model is applied to the prediction of radiant heat transfer. The gas phase is solved with the SIMPLE algorithm and a hybrid scheme in the staggered grid system. The liquid phase equations are solved in a Lagrangian frame in reference of the particle-source-in-cell (PSIC) algorithm. From simulation results, the exchange of mass, moment and energy between gas and particle fields for the reacting flow in the afterburner with a V-gutter flame holder can be obtained. By the comparison of experimental and simulation results, profile temperature and pollutant of the outlet are quite in agreement with experimental data. Results show that the LES approach for predicting the two-phase instantaneous reacting flow and pollutant emissions in the afterburner is feasible.
基金National Natural Science Foundation of China(No.51175481)
文摘In order to speed underwater launch of minor-caliber weapons,a sealing device can be set in front of underwater muzzle to separate water,preventing the muzzle from water immersion.By establishing and simplifying the model of underwater weapon sealing device and unstructured mesh computing domain model based on computational fluid dynamics（CFD）,dynamic mesh and user defined function（UDF）,the N-S equation is solved and the numerical analysis and calculation of the complex two-phase flow inside the sealing device are carried out.The results show that the gas discharged from the sealing device is conducive to the formation of the projectile supercavity.When the projectile is launched at 5munder water,the shock wave before and after the projectile has impact on the box body up to 100 MPa,therefore the sealing device must be strong enough.The research results have the vital significance to the design of underwater weapon sealing device and the formation of the projectile supercavitation.
基金National Key Research and Development Program of China(2022YFB4600902)Shandong Provincial Science Foundation for Outstanding Young Scholars(ZR2024YQ020)。
文摘Wire arc additive manufacturing(WAAM)has emerged as a promising approach for fabricating large-scale components.However,conventional WAAM still faces challenges in optimizing microstructural evolution,minimizing additive-induced defects,and alleviating residual stress and deformation,all of which are critical for enhancing the mechanical performance of the manufactured parts.Integrating interlayer friction stir processing(FSP)into WAAM significantly enhances the quality of deposited materials.However,numerical simulation research focusing on elucidating the associated thermomechanical coupling mechanisms remains insufficient.A comprehensive numerical model was developed to simulate the thermomechanical coupling behavior in friction stir-assisted WAAM.The influence of post-deposition FSP on the coupled thermomechanical response of the WAAM process was analyzed quantitatively.Moreover,the residual stress distribution and deformation behavior under both single-layer and multilayer deposition conditions were investigated.Thermal analysis of different deposition layers in WAAM and friction stir-assisted WAAM was conducted.Results show that subsequent layer deposition induces partial remelting of the previously solidified layer,whereas FSP does not cause such remelting.Furthermore,thermal stress and deformation analysis confirm that interlayer FSP effectively mitigates residual stresses and distortion in WAAM components,thereby improving their structural integrity and mechanical properties.
基金supported by the Stable Support Fund forBasic Disciplines,China(No.3072024WD0201)。
文摘Underwater gas-liquid two-phase propulsion technology is an emerging propulsion method that offers high efficiency and unrestricted navigation speed.The integration of this technology into water ramjet engines can significantly enhance propulsion efficiency and holds substantial potential for broad applications.However,forming a gas-liquid two-phase flow within the nozzle requires introducing a large amount of rammed seawater.At this time,there is a complex phase transition problem of combustion products in the combustion chamber,which makes the thermodynamic calculation for gas-liquid two-phase water ramjet engines particularly challenging.This paper proposes a thermodynamic calculation method for gas-liquid two-phase water ramjet engines,based on the energy equation for gas-liquid two-phase flow and traditional thermodynamic principles,enabling thermodynamic calculations under conditions of ultra-high water-fuel ratios.Additionally,ground ignition tests of the gas-liquid two-phase engine were conducted,yielding critical engine test parameters.The results demonstrate that the gas-liquid two-phase water ramjet engine achieves a high specific impulse,with a theoretical maximum specific impulse of up to 7000(N s)/kg.The multiphase flow effects significantly impact engine performance,with specific impulse losses reaching up to 25.86%.The error between the thrust and specific impulse in the ground test and the theoretical values is within 10%,validating the proposed thermodynamic calculation method as a reliable reference for further research on gas-liquid two-phase water ramjet engines.
基金supported by the Major Science and Technology Project of Gansu Province(Grant No.24ZD13FA003 and 23ZDWA005)National Natural Science Foundation of China(Grant No.42371140,42301163,41971087 and 42272332)the program of the State Key Laboratory of Cryospheric Science and Frozen Soil Engineering,CAS(No.CSFSEZZ-2411)。
文摘In permafrost regions of the QinghaiXizang Plateau,embankments of the Qinghai-Xizang Highway and Qinghai-Xizang Railway experiencing roadside water accumulation exhibit more pronounced engineering deteriorations.A widely accepted view is that the accumulated water adjacent to the embankment possesses substantial thermal energy,which accelerates the degradation-even disappearance-of the underlying permafrost.Moreover,the presence of roadside water keeps the embankment soil in a persistently high-moisture state,thereby making the frozen-soil embankment more susceptible to deformation under traffic loading.However,in the permafrost regions of the QinghaiXizang Plateau,deteriorations of embankments affected by roadside water are more commonly manifested as undulating pavement surfaces,and extensive crack networks appear on the embankment crest even where thermosyphons are installed.These manifestations are not fully consistent with the deterioration mechanisms proposed by existing viewpoints.We propose the hypothesis that temperature gradients,formed due to the freezing and thawing processes between the roadside wateraffected soil and the roadbed soil,lead to moisture migration under the influence of temperature gradients,resulting in frost heave and thaw settlement in the roadbed soil.To validate this hypothesis,we conducted the following investigations sequentially.Initially,we selected a roadbed with a thermosyphon(TPCT)system,which has a significant cooling effect,as the study object.By analyzing the temperature monitoring data of the roadbed section,the temperature variance was calculated to identify the time nodes where the temperature gradient of the roadbed soil was maximum and minimum.Subsequently,corresponding roadbed temperature distribution maps were drawn,illustrating the changes in the temperature and position of the lowtemperature core near the TPCT over time.Furthermore,using small-scale indoor model experiments,we qualitatively concluded that moisture in the soil migrates toward the TPCT due to the temperature gradient.Thereafter,combining borehole water content data and precipitation data from the sloped terrain construction site,the formation mechanisms and timing characteristics of roadside water accumulation were analyzed.Ultimately,by integrating the ground temperature data,air temperature data,roadside water formation mechanisms,and the operating characteristics of the TPCT,it was concluded that roadside water,while in a thawed state during TPCT operation,acts as a supplementary source for moisture migration in the roadbed soil.This migration leads to cracking in the TPCT roadbed.Therefore,this study reveals a novel damage mechanism:asynchronous freeze-thaw processes induce temperature gradients,which drive the migration of roadside water into the roadbed and are responsible for the cracking damage.
基金supported by the National Natural Science Foundation of China(Grant Nos.22193032 and 32401033)the Research Fund of Wenzhou Institute,Chinese Academy of Sciences(Grant Nos.WIUCASQD2020009,WIUCASQD2023005,XSZD2024004,2021HZSY0061,and WIUCASICTP2022)。
文摘The F_(1)-ATPase and V_(1)-ATPase are rotary biomotors.Alignment of their amino acid sequences,which originate from bovine heart mitochondria(1BMF)and Enterococcus hirae(3VR6),respectively,demonstrates that the segment forming the ATP catalytic pocket is highly conserved.Single-molecule experiments,however,have revealed subtle differences in efficiency between the F_(1) and V_(1) motors.Here,we perform both atomistic and coarse-grained molecular dynamics simulations to investigate the mechanochemical coupling and coordination in F_(1) and V_(1) ATPase.Our results show that the correlation between conformational changes in F_(1) is stronger than that in V_(1),indicating that the mechanochemical coupling in F_(1) is tighter than in V_(1).Moreover,the unidirectional rotation of F_(1) is more processive than that of V_(1),which accounts for the higher efficiency observed in F_(1) and explains the occasional backward steps detected in single-molecule experiments on V_(1).
基金supported by the Advanced Materials-National Science and Technology Major Project(Grant No.2025ZD0618401)the National Natural Science Foundation of China(Grant No.12504285)+1 种基金the Natural Science Foundation of Jiangsu Province(Grant No.BK20250472)NFSG grant from BITS-Pilani,Dubai campus。
文摘The rapid advancement of machine learning based tight-binding Hamiltonian(MLTB)methods has opened new avenues for efficient and accurate electronic structure simulations,particularly in large-scale systems and long-time scenarios.This review begins with a concise overview of traditional tight-binding(TB)models,including both(semi-)empirical and first-principles approaches,establishing the foundation for understanding MLTB developments.We then present a systematic classification of existing MLTB methodologies,grouped into two major categories:direct prediction of TB Hamiltonian elements and inference of empirical parameters.A comparative analysis with other ML-based electronic structure models is also provided,highlighting the advancement of MLTB approaches.Finally,we explore the emerging MLTB application ecosystem,highlighting how the integration of MLTB models with a diverse suite of post-processing tools from linear-scaling solvers to quantum transport frameworks and molecular dynamics interfaces is essential for tackling complex scientific problems across different domains.The continued advancement of this integrated paradigm promises to accelerate materials discovery and open new frontiers in the predictive simulation of complex quantum phenomena.
基金financially supported by the National Natural Science Foundation of China(Nos.52173020 and 52573023)。
文摘Vitrimers belong to a class of polymeric materials capable of bond exchange reactions,showing great promise for environmental protection and sustainable development.However,studies on the coupling mechanism between the bond exchange kinetics and segmental dynamics near the glass transition temperature(T_(g))remain scarce.Herein,we employed molecular dynamics simulations to investigate the dynamic heterogeneity of the segment motion and bond exchange in vitrimers.The simulation results revealed that the bond exchange energy barrier exerts a much stronger influence on the bond exchange kinetics than on the segmental dynamics.At lower temperatures,slower segmental relaxation further constraind the bond exchange rate.Additionally,increasing the bond exchange energy barrier markedly enhanced the dynamic heterogeneity of segment motion.A close correlation was observed between heterogeneity and bond exchange.This study elucidated the coupling mechanism between bond exchange and segmental dynamics at the molecular scale,thereby providing a theoretical basis for designing vitrimer materials with tunable dynamic properties.
文摘In federated learning,backdoor attacks have become an important research topic with their wide application in processing sensitive datasets.Since federated learning detects or modifies local models through defense mechanisms during aggregation,it is difficult to conduct effective backdoor attacks.In addition,existing backdoor attack methods are faced with challenges,such as low backdoor accuracy,poor ability to evade anomaly detection,and unstable model training.To address these challenges,a method called adaptive simulation backdoor attack(ASBA)is proposed.Specifically,ASBA improves the stability of model training by manipulating the local training process and using an adaptive mechanism,the ability of the malicious model to evade anomaly detection by combing large simulation training and clipping,and the backdoor accuracy by introducing a stimulus model to amplify the impact of the backdoor in the global model.Extensive comparative experiments under five advanced defense scenarios show that ASBA can effectively evade anomaly detection and achieve high backdoor accuracy in the global model.Furthermore,it exhibits excellent stability and effectiveness after multiple rounds of attacks,outperforming state-of-the-art backdoor attack methods.
基金financially supported by the National Natural Science Foundation of China(Nos.52303298 and 52233002)。
文摘UHMWPE fibers exhibit impressive modulus and strength,but they have not reached their theoretical limits.Researchers focus on molecular weight,orientation,and crystallinity of UHMWPE,yet their contributions to mechanical properties are unclear.Molecular dynamics simulations are valuable but often limited by computational constraints.Our aim is to simulate higher molecular weights to better represent real UHMWPE fibers.We used Packmol and Polyply methodologies to construct PE systems,with Polyply reproducing more reasonable properties of UHMWPE fibers.Additionally,tensile simulations showed that orientation and crystallinity greatly impact Young's modulus more than molecular weight.Energy decomposition indicated that higher molecular weights lead to covalent bonds that can withstand more energy during stretching,thus increasing breaking strength.Combining simulations with machine learning,we found that orientation has the most significant impact on Young's modulus,contributing 60%,and molecular weight plays the most crucial role in determining the breaking strength,accounting for 65%.This study provides a theoretical basis and guidelines for enhancing UHMWPE's modulus and strength.
基金supported by the 2024 Research Fund of University of Ulsan.
文摘In recent years,three-dimensional reconstruction technologies that employ multiple cameras have continued to evolve significantly,enabling remote collaboration among users in extended Reality(XR)environments.In addition,methods for deploying multiple cameras for motion capture of users(e.g.,performers)are widely used in computer graphics.As the need to minimize and optimize the number of cameras grows to reduce costs,various technologies and research approaches focused on Optimal Camera Placement(OCP)are continually being proposed.However,as most existing studies assume homogeneous camera setups,there is a growing demand for studies on heterogeneous camera setups.For instance,technical demands keep emerging in scenarios with minimal camera configurations,especially regarding cost factors,the physical placement of cameras given the spatial structure,and image capture strategies for heterogeneous cameras,such as high-resolution RGB cameras and depth cameras.In this study,we propose a pre-visualization and simulation method for the optimal placement of heterogeneous cameras in XR environments,accounting for both the specifications of heterogeneous cameras(e.g.,field of view)and the physical configuration(e.g.,wall configuration)in real-world spaces.The proposed method performs a visibility analysis of cameras by considering each camera’s field-of-view volume,resolution,and unique characteristics,along with physicalspace constraints.This approach enables the optimal position and rotation of each camera to be recommended,along with the minimum number of cameras required.In the results of our study conducted in heterogeneous camera combinations,the proposed method achieved 81.7%~82.7%coverage of the target visual information using only 2~3 cameras.In contrast,single(or homogeneous)-typed cameras were required to use 11 cameras for 81.6%coverage.Accordingly,we found that camera deployment resources can be reduced with the proposed approaches.
