The adsorptive denitrification performance of MIL-101(Cr)-0.5 toward pyridine,aniline or quinoline in simulated fuels with basic nitrogen content of 1732μg/g was evaluated separately.Furthermore,the effects of adsorp...The adsorptive denitrification performance of MIL-101(Cr)-0.5 toward pyridine,aniline or quinoline in simulated fuels with basic nitrogen content of 1732μg/g was evaluated separately.Furthermore,the effects of adsorption temperature,adsorption time and adsorbent dosage on their adsorptive denitrification performance were systematically investigated.The experimental results demonstrated that under a fixed adsorbent dosage of 0.05 g and a simulated fuel volume of 10 mL,the optimal removal efficiency for aniline was achieved at 30℃ within 30 min,whereas higher temperatures and longer times(40℃and 40 min)were required for effective removal of pyridine and quinoline.Density Functional Theory(DFT)calculations were conducted via Materials Studio(MS)software to study the adsorptive denitrification mechanism of MIL-101(Cr)toward these three basic nitrogen-containing compounds.The simulation calculation results revealed that the interaction between pyridine and MIL-101(Cr)primarily involved coordination adsorption.In contrast,the interaction between aniline or quinoline and MIL-101(Cr)proceeded mainly through coordination,with additional contributions fromπ-complexation and hydrogen bonding.The overall adsorption strength order is pyridine>aniline>quinoline.During the adsorption process,pyridine and quinoline transfer electrons to the MIL-101(Cr)surface through the H→C→N→Cr^(3+)pathway,while aniline transfers electrons to the MIL-101(Cr)surface through various pathways,including N→Cr^(3+),N→C→Cr^(3+)and N→H→O.Furthermore,adsorption kinetics studies indicated that the adsorption processes for all three basic nitrogen-containing compounds followed the quasi second order kinetic models.The experimental results on the effect of benzene on the adsorptive denitrification performance of MIL-101(Cr)-0.5 demonstrated that benzene exerted a more significant impact on the adsorption of aniline and quinoline.Finally,the adsorbent was regenerated using ethanol washing.It was found that MIL-101(Cr)-0.5 retained stable denitrification performance after two regeneration cycles.展开更多
The efficiency and stability of catalysts for photocatalytic hydrogen evolution(PHE)are largely governed by the charge transfer behaviors across the heterojunction interfaces.In this study,CuO,a typical semiconductor ...The efficiency and stability of catalysts for photocatalytic hydrogen evolution(PHE)are largely governed by the charge transfer behaviors across the heterojunction interfaces.In this study,CuO,a typical semiconductor featuring a broad spectral absorption range,is successfully employed as the electron acceptor to combine with CdS for constructing a S-scheme heterojunction.The optimized photocatalyst(CdSCuO2∶1)delivers an exceptional hydrogen evolution rate of 18.89 mmol/(g·h),4.15-fold higher compared with bare CdS.X-ray photoelectron spectroscopy(XPS)and ultraviolet-visible diffuse reflection absorption spectroscopy(UV-vis DRS)confirmed the S-scheme band structure of the composites.Moreover,the surface photovoltage(SPV)and electron paramagnetic resonance(EPR)indicated that the photogenerated electrons and photogenerated holes of CdS-CuO2∶1 were respectively transferred to the conduction band(CB)of CdS with a higher reduction potential and the valence band(VB)of CuO with a higher oxidation potential under illumination,as expected for the S-scheme mechanism.Density-functional-theory calculations of the electron density difference(EDD)disclose an interfacial electric field oriented from CdS to CuO.This built-in field suppresses charge recombination and accelerates carrier migration,rationalizing the markedly enhanced PHE activity.This study offers a novel strategy for designing S-scheme heterojunctions with high light harvesting and charge utilization toward sustainable solar-tohydrogen conversion.展开更多
The strong convergence of an explicit full-discrete scheme is investigated for the stochastic Burgers-Huxley equation driven by additive space-time white noise,which possesses both Burgers-type and cubic nonlinearitie...The strong convergence of an explicit full-discrete scheme is investigated for the stochastic Burgers-Huxley equation driven by additive space-time white noise,which possesses both Burgers-type and cubic nonlinearities.To discretize the continuous problem in space,we utilize a spectral Galerkin method.Subsequently,we introduce a nonlinear-tamed exponential integrator scheme,resulting in a fully discrete scheme.Within the framework of semigroup theory,this study provides precise estimations of the Sobolev regularity,L^(∞) regularity in space,and Hölder continuity in time for the mild solution,as well as for its semi-discrete and full-discrete approximations.Building upon these results,we establish moment boundedness for the numerical solution and obtain strong convergence rates in both spatial and temporal dimensions.A numerical example is presented to validate the theoretical findings.展开更多
As blockchain technology rapidly evolves,smart contracts have seen widespread adoption in financial transactions and beyond.However,the growing prevalence of malicious Ponzi scheme contracts presents serious security ...As blockchain technology rapidly evolves,smart contracts have seen widespread adoption in financial transactions and beyond.However,the growing prevalence of malicious Ponzi scheme contracts presents serious security threats to blockchain ecosystems.Although numerous detection techniques have been proposed,existing methods suffer from significant limitations,such as class imbalance and insufficient modeling of transaction-related semantic features.To address these challenges,this paper proposes an oversampling-based detection framework for Ponzi smart contracts.We enhance the Adaptive Synthetic Sampling(ADASYN)algorithm by incorporating sample proximity to decision boundaries and ensuring realistic sample distributions.This enhancement facilitates the generation of high-quality minority class samples and effectively mitigates class imbalance.In addition,we design a Contract Transaction Graph(CTG)construction algorithm to preserve key transactional semantics through feature extraction from contract code.A graph neural network(GNN)is then applied for classification.This study employs a publicly available dataset from the XBlock platform,consisting of 318 verified Ponzi contracts and 6498 benign contracts.Sourced from real Ethereum deployments,the dataset reflects diverse application scenarios and captures the varied characteristics of Ponzi schemes.Experimental results demonstrate that our approach achieves an accuracy of 96%,a recall of 92%,and an F1-score of 94%in detecting Ponzi contracts,outperforming state-of-the-art methods.展开更多
Clouds play an important role in global atmospheric energy and water vapor budgets, and the low cloud simulations suffer from large biases in many atmospheric general circulation models. In this study, cloud microphys...Clouds play an important role in global atmospheric energy and water vapor budgets, and the low cloud simulations suffer from large biases in many atmospheric general circulation models. In this study, cloud microphysical processes such as raindrop evaporation and cloud water accretion in a double-moment six-class cloud microphysics scheme were revised to enhance the simulation of low clouds using the Global-Regional Integrated Forecast System(GRIST)model. The validation of the revised scheme using a single-column version of the GRIST demonstrated a reasonable reduction in liquid water biases. The revised parameterization simulated medium-and low-level cloud fractions that were in better agreement with the observations than the original scheme. Long-term global simulations indicate the mitigation of the originally overestimated low-level cloud fraction and cloud-water mixing ratio in mid-to high-latitude regions,primarily owing to enhanced accretion processes and weakened raindrop evaporation. The reduced low clouds with the revised scheme showed better consistency with satellite observations, particularly at mid-and high-latitudes. Further improvements can be observed in the simulated cloud shortwave radiative forcing and vertical distribution of total cloud cover. Annual precipitation in mid-latitude regions has also improved, particularly over the oceans, with significantly increased large-scale and decreased convective precipitation.展开更多
The electric double layer(EDL)at the electrochemical interface is crucial for ion transport,charge transfer,and surface reactions in aqueous rechargeable zinc batteries(ARZBs).However,Zn anodes routinely encounter per...The electric double layer(EDL)at the electrochemical interface is crucial for ion transport,charge transfer,and surface reactions in aqueous rechargeable zinc batteries(ARZBs).However,Zn anodes routinely encounter persistent dendrite growth and parasitic reactions,driven by the inhomogeneous charge distribution and water-dominated environment within the EDL.Compounding this,classical EDL theory,rooted in meanfield approximations,further fails to resolve molecular-scale interfacial dynamics under battery-operating conditions,limiting mechanistic insights.Herein,we established a multiscale theoretical calculation framework from single molecular characteristics to interfacial ion distribution,revealing the EDL’s structure and interactions between different ions and molecules,which helps us understand the parasitic processes in depth.Simulations demonstrate that water dipole and sulfate ion adsorption at the inner Helmholtz plane drives severe hydrogen evolution and by-product formation.Guided by these insights,we engineered a“water-poor and anion-expelled”EDL using 4,1’,6’-trichlorogalactosucrose(TGS)as an electrolyte additive.As a result,Zn||Zn symmetric cells with TGS exhibited stable cycling for over 4700 h under a current density of 1 mA cm^(−2),while NaV_(3)O_(8)·1.5H_(2)O-based full cells kept 90.4%of the initial specific capacity after 800 cycles at 5 A g^(−1).This work highlights the power of multiscale theoretical frameworks to unravel EDL complexities and guide high-performance ARZB design through integrated theory-experiment approaches.展开更多
In this paper,we present a finite volume trigonometric weighted essentially non-oscillatory(TWENO)scheme to solve nonlinear degenerate parabolic equations that may exhibit non-smooth solutions.The present method is de...In this paper,we present a finite volume trigonometric weighted essentially non-oscillatory(TWENO)scheme to solve nonlinear degenerate parabolic equations that may exhibit non-smooth solutions.The present method is developed using the trigonometric scheme,which is based on zero,first,and second moments,and the direct discontinuous Galerkin(DDG)flux is used to discretize the diffusion term.Moreover,the DDG method directly applies the weak form of the parabolic equation to each computational cell,which can better capture the characteristics of the solution,especially the discontinuous solution.Meanwhile,the third-order TVD-Runge-Kutta method is applied for temporal discretization.Finally,the effectiveness and stability of the method constructed in this paper are evaluated through numerical tests.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
This study proposes a class of augmented subspace schemes for the weak Galerkin(WG)finite element method used to solve eigenvalue problems.The augmented subspace is built with the conforming linear finite element spac...This study proposes a class of augmented subspace schemes for the weak Galerkin(WG)finite element method used to solve eigenvalue problems.The augmented subspace is built with the conforming linear finite element space defined on the coarse mesh and the eigen-function approximations in the WG finite element space defined on the fine mesh.Based on this augmented subspace,solving the eigenvalue problem in the fine WG finite element space can be reduced to the solution of the linear boundary value problem in the same WG finite element space and a low dimensional eigenvalue problem in the augmented sub-space.The proposed augmented subspace techniques have the second order convergence rate with respect to the coarse mesh size,as demonstrated by the accompanying error esti-mates.Finally,a few numerical examples are provided to validate the proposed numerical techniques.展开更多
The excessive use of pesticides has exacerbated environmental pollution due to herbicide residues,while their persistent toxicity poses serious challenges to global ecological security.A magnetically recyclable CoFe_(...The excessive use of pesticides has exacerbated environmental pollution due to herbicide residues,while their persistent toxicity poses serious challenges to global ecological security.A magnetically recyclable CoFe_(2)O_(4)/BiOBr S-scheme heterojunctions was prepared by microwave-assisted co-precipitation method for photocatalytic degradation of Diuron(DUR) in water.The formation of S-scheme heterojunction enhances electron transfer and charge separation,which was demonstrated by free radical trapping,electrochemical experiments,and DFT calculations.The magnetic CoFe_(2)O_(4)/BiOBr catalysts can achieve 99.9 %removal of diuron in 50 min under visible light irradiation.Furthermore,the system maintains stable performance across a broad p H range(3-9),enabling adaptation to diverse water environments,effective elimination of multiple pollutants,and strong resistance to ionic interference.Using magnetic recovery,CoFe_(2)O_(4)/BiOBr exhibits a high removal rate of 99 % and a markedly low ion leaching rate(<20 μg/L) after six cycles photocatalytic process,confirming its excellent stability and durability.According to HPLCQTOF-MS and DFT calculation,the main ways of DUR degradation include dechlorinated hydroxylation,dealkylation and hydroxylation of aromatic ring and side chain.Toxicity analysis showed that the toxicity of the intermediates generated during degradation was generally lower than that of DUR.The magnetic CoFe_(2)O_(4)/BiOBr S-scheme heterojunction developed in this study exhibits excellent photocatalytic performance,high applicability,good stability,and durability,providing an effective magnetic for the removal of refractory pollutants.展开更多
In this paper,we propose and analyze two second-order accurate finite difference schemes for the one-dimensional heat equation with concentrated capacity on a computa-tional domain=[a,b].We first transform the target ...In this paper,we propose and analyze two second-order accurate finite difference schemes for the one-dimensional heat equation with concentrated capacity on a computa-tional domain=[a,b].We first transform the target equation into the standard heat equation on the domain excluding the singular point equipped with an inner interface matching(IIM)condition on the singular point x=ξ∈(a,b),then adopt Taylor’s ex-pansion to approximate the IIM condition at the singular point and apply second-order finite difference method to approximate the standard heat equation at the nonsingular points.This discrete procedure allows us to choose different grid sizes to partition the two sub-domains[a,ξ]and[ξ,b],which ensures that x=ξ is a grid point,and hence the pro-posed schemes can be generalized to the heat equation with more than one concentrated capacities.We prove that the two proposed schemes are uniquely solvable.And through in-depth analysis of the local truncation errors,we rigorously prove that the two schemes are second-order accurate both in temporal and spatial directions in the maximum norm without any constraint on the grid ratio.Numerical experiments are carried out to verify our theoretical conclusions.展开更多
This paper deals with the numerical solutions of two-dimensional(2D)semi-linear reaction-diffusion equations(SLRDEs)with piecewise continuous argument(PCA)in reaction term.A high-order compact difference method called...This paper deals with the numerical solutions of two-dimensional(2D)semi-linear reaction-diffusion equations(SLRDEs)with piecewise continuous argument(PCA)in reaction term.A high-order compact difference method called Ⅰ-type basic scheme is developed for solving the equations and it is proved under the suitable conditions that this method has the computational accuracy O(τ^(2)+h_(x)^(4)+h_(y)^(4)),where τ,h_(x )and h_(y) are the calculation stepsizes of the method in t-,x-and y-direction,respectively.With the above method and Newton linearized technique,a Ⅱ-type basic scheme is also suggested.Based on the both basic schemes,the corresponding Ⅰ-and Ⅱ-type alternating direction implicit(ADI)schemes are derived.Finally,with a series of numerical experiments,the computational accuracy and efficiency of the four numerical schemes are further illustrated.展开更多
It is a challenging task to efficiently convert deleterious hydrogen sulfide(H_(2)S)into less harmful products such as SO_(4)^(2-)species.In an effort to address such issue,a step-scheme(S-scheme)heterojunction photoc...It is a challenging task to efficiently convert deleterious hydrogen sulfide(H_(2)S)into less harmful products such as SO_(4)^(2-)species.In an effort to address such issue,a step-scheme(S-scheme)heterojunction photocatalyst has been built by concatenating TiO_(2)(P25)and ultrathin Bi_(4)O_(5)Br_(2)into TiO_(2)/Bi_(4)O_(5)Br_(2)(namely,x-TB-y:x and y denote the molar ratio of TiO_(2):Bi_(4)O_(5)Br_(2)and pH value for solution-based synthesis,respectively)via in-situ hydrothermal method.The S-scheme charge transfer pathway in TB is confirmed by electron spin resonance and band structure analysis while experimental data and density functional theory calculations suggest the formation of an internal electric field to facilitate the separation and transfer of photoinduced charge carriers.Accordingly,the optimized heterojunction photocatalyst,i.e.,5-TB-9,showcases significantly high(>99%)removal efficiency against 10 ppm H_(2)S in a 17 L chamber within 12 minutes(removal kinetic rate r:0.7 mmol·h^(-1)·g^(-1),specific clean air delivery rate SCADR:5554 L·h^(-1)·g^(-1),quantum yield QY:3.24 E-3 molecules·photon^(-1),and space-time yield STY:3.24 E-3 molecules·photon^(-1)·mg^(-1)).Combined analysis of in-situ diffuse reflectance infrared Fourier transform adsorption spectra and gas chromatography-mass spectrometry allows to evaluate the mechanisms leading to the complete degradation of H_(2)S(i.e.,into SO_(4)^(2-)without forming any intermediate species).This work demonstrates the promising remediation potential of an S-scheme TiO_(2)/Bi_(4)O_(5)Br_(2)photocatalyst against hazardous H_(2)S gas for sustainable environmental remediation.展开更多
Three dimensional Euler equations are solved in the finite volume form with van Leer's flux vector splitting technique. Block matrix is inverted by Gauss-Seidel iteration in two dimensional plane while strongly im...Three dimensional Euler equations are solved in the finite volume form with van Leer's flux vector splitting technique. Block matrix is inverted by Gauss-Seidel iteration in two dimensional plane while strongly implicit alternating sweeping is implemented in the direction of the third dimension. Very rapid convergence rate is obtained with CFL number reaching the order of 100. The memory resources can be greatly saved too. It is verified that the reflection boundary condition can not be used with flux vector splitting since it will produce too large numerical dissipation. The computed flow fields agree well with experimental results. Only one or two grid points are there within the shock transition zone.展开更多
Since governing equations are discretized using a finite volume method for FV TVD scheme, we use integral governing equations to solve the flow field. We achieve N S equations in terms of cylinder coordinate velocity ...Since governing equations are discretized using a finite volume method for FV TVD scheme, we use integral governing equations to solve the flow field. We achieve N S equations in terms of cylinder coordinate velocity components in an arbitrary curvilinear coordinate using a tensor analytic method to the integral governing equations. It’s also testified that term g which include Jacobian can be reduced when governing equations are discretized on an infinitesimal small control volume. Numerical calculations indicated that this scheme can capture shocks and contact discontinuities exactly and the solution with this treatment is in good agreement with the experimental data.展开更多
In order to investigate parameters of FAE (fuel air explosive) explosion, the two-phase gas-droplet conservation equations with two-dimensional axial symmetry in the Euler coordinate were used. High-resolution implici...In order to investigate parameters of FAE (fuel air explosive) explosion, the two-phase gas-droplet conservation equations with two-dimensional axial symmetry in the Euler coordinate were used. High-resolution implicit TVD ( total variation diminishing) schemes were applied to gas phase equations and MacCormack schemes to liquid equations. The formation and propagation of gas-droplet detonation wave were simulated numerically. The simulation results and the others are compared with a good agreement.展开更多
The quantitative rules of the transfer and variation of errors,when the Gaussian integral functions F.(z) are evaluated sequentially by recurring,have been expounded.The traditional viewpoint to negate the applicabili...The quantitative rules of the transfer and variation of errors,when the Gaussian integral functions F.(z) are evaluated sequentially by recurring,have been expounded.The traditional viewpoint to negate the applicability and reliability of upward recursive formula in principle is amended.An optimal scheme of upward-and downward-joint recursions has been developed for the sequential F(z) computations.No additional accuracy is needed with the fundamental term of recursion because the absolute error of Fn(z) always decreases with the recursive approach.The scheme can be employed in modifying any of existent subprograms for Fn<z> computations.In the case of p-d-f-and g-type Gaussians,combining this method with Schaad's formulas can reduce,at least,the additive operations by a factor 40%;the multiplicative and exponential operations by a factor 60%.展开更多
Different advection schemes and two-equation turbulence closure models based on eddy viscosity concept are used to compute the drag coefficient around a circular cylinder at high Reynolds number (106).The numerical re...Different advection schemes and two-equation turbulence closure models based on eddy viscosity concept are used to compute the drag coefficient around a circular cylinder at high Reynolds number (106).The numerical results from these simulations are compared with each other and with experimental data in order to evaluate the performance of different combinations of advection scheme and two-equation turbulence model.The separate contributions from form drag and friction drag are also ana-lyzed.The computational results show that the widely used standard k-ε turbulence closure is not suitable for such kind of study,while the other two-equation turbulence closure models produce acceptable results.The influence of the different advection schemes on the final results are small compared to that produced by the choice of turbulence closure method. The present study serves as a reference for the choice of advection schemes and turbulence closure models for more complex numerical simulation of the flow around a circular cylinder at high Reynolds number.展开更多
We present the High-Throughput Computing and Statistical Analysis(HCSA)scheme,which efficiently and accurately predicts the stacking fault energies(SFEs)of multi-principal element alloys(MPEAs).Our approach estimates ...We present the High-Throughput Computing and Statistical Analysis(HCSA)scheme,which efficiently and accurately predicts the stacking fault energies(SFEs)of multi-principal element alloys(MPEAs).Our approach estimates the SFE of a single complex supercell by averaging numerous SFEs from small supercells,resulting in superior accuracy compared to traditional density functional theory(DFT)calculations.To validate our scheme,we applied it to NiFe and Ni_(10)Co_(60)Cr_(25)W_(5)alloys,achieving an SFE error of only 11%,in contrast to the 45%error obtained from traditional DFT calculations for NiFe.We observed a strong correlation between the average SFEs of samples with the same valence electron concentration as that of the experimental data.Our scheme provides an efficient and reliable tool for predicting SFEs in MPEAs and holds the potential to significantly accelerate materials design and discovery processes.展开更多
基金Supported by Basic Scientific Research Project of the Liaoning Provincial Department of Education Has Been Unveiled to Facilitate Local Project Funding (JYTMS20230835)Enhanced Scientific Research Project Funded by the Departmentof Higher Education in Liaoning Province (General program)(JYTMS20230852)。
文摘The adsorptive denitrification performance of MIL-101(Cr)-0.5 toward pyridine,aniline or quinoline in simulated fuels with basic nitrogen content of 1732μg/g was evaluated separately.Furthermore,the effects of adsorption temperature,adsorption time and adsorbent dosage on their adsorptive denitrification performance were systematically investigated.The experimental results demonstrated that under a fixed adsorbent dosage of 0.05 g and a simulated fuel volume of 10 mL,the optimal removal efficiency for aniline was achieved at 30℃ within 30 min,whereas higher temperatures and longer times(40℃and 40 min)were required for effective removal of pyridine and quinoline.Density Functional Theory(DFT)calculations were conducted via Materials Studio(MS)software to study the adsorptive denitrification mechanism of MIL-101(Cr)toward these three basic nitrogen-containing compounds.The simulation calculation results revealed that the interaction between pyridine and MIL-101(Cr)primarily involved coordination adsorption.In contrast,the interaction between aniline or quinoline and MIL-101(Cr)proceeded mainly through coordination,with additional contributions fromπ-complexation and hydrogen bonding.The overall adsorption strength order is pyridine>aniline>quinoline.During the adsorption process,pyridine and quinoline transfer electrons to the MIL-101(Cr)surface through the H→C→N→Cr^(3+)pathway,while aniline transfers electrons to the MIL-101(Cr)surface through various pathways,including N→Cr^(3+),N→C→Cr^(3+)and N→H→O.Furthermore,adsorption kinetics studies indicated that the adsorption processes for all three basic nitrogen-containing compounds followed the quasi second order kinetic models.The experimental results on the effect of benzene on the adsorptive denitrification performance of MIL-101(Cr)-0.5 demonstrated that benzene exerted a more significant impact on the adsorption of aniline and quinoline.Finally,the adsorbent was regenerated using ethanol washing.It was found that MIL-101(Cr)-0.5 retained stable denitrification performance after two regeneration cycles.
文摘The efficiency and stability of catalysts for photocatalytic hydrogen evolution(PHE)are largely governed by the charge transfer behaviors across the heterojunction interfaces.In this study,CuO,a typical semiconductor featuring a broad spectral absorption range,is successfully employed as the electron acceptor to combine with CdS for constructing a S-scheme heterojunction.The optimized photocatalyst(CdSCuO2∶1)delivers an exceptional hydrogen evolution rate of 18.89 mmol/(g·h),4.15-fold higher compared with bare CdS.X-ray photoelectron spectroscopy(XPS)and ultraviolet-visible diffuse reflection absorption spectroscopy(UV-vis DRS)confirmed the S-scheme band structure of the composites.Moreover,the surface photovoltage(SPV)and electron paramagnetic resonance(EPR)indicated that the photogenerated electrons and photogenerated holes of CdS-CuO2∶1 were respectively transferred to the conduction band(CB)of CdS with a higher reduction potential and the valence band(VB)of CuO with a higher oxidation potential under illumination,as expected for the S-scheme mechanism.Density-functional-theory calculations of the electron density difference(EDD)disclose an interfacial electric field oriented from CdS to CuO.This built-in field suppresses charge recombination and accelerates carrier migration,rationalizing the markedly enhanced PHE activity.This study offers a novel strategy for designing S-scheme heterojunctions with high light harvesting and charge utilization toward sustainable solar-tohydrogen conversion.
基金partially supported by the National Natural Science Foundation of China(Grant No.12071073)financial support by the Jiangsu Provincial Scientific Research Center of Applied Mathematics(Grant No.BK20233002).
文摘The strong convergence of an explicit full-discrete scheme is investigated for the stochastic Burgers-Huxley equation driven by additive space-time white noise,which possesses both Burgers-type and cubic nonlinearities.To discretize the continuous problem in space,we utilize a spectral Galerkin method.Subsequently,we introduce a nonlinear-tamed exponential integrator scheme,resulting in a fully discrete scheme.Within the framework of semigroup theory,this study provides precise estimations of the Sobolev regularity,L^(∞) regularity in space,and Hölder continuity in time for the mild solution,as well as for its semi-discrete and full-discrete approximations.Building upon these results,we establish moment boundedness for the numerical solution and obtain strong convergence rates in both spatial and temporal dimensions.A numerical example is presented to validate the theoretical findings.
基金supported by the Key Project of Joint Fund of the National Natural Science Foundation of China“Research on Key Technologies and Demonstration Applications for Trusted and Secure Data Circulation and Trading”(U24A20241)the National Natural Science Foundation of China“Research on Trusted Theories and Key Technologies of Data Security Trading Based on Blockchain”(62202118)+4 种基金the Major Scientific and Technological Special Project of Guizhou Province([2024]014)Scientific and Technological Research Projects from the Guizhou Education Department(Qian jiao ji[2023]003)the Hundred-Level Innovative Talent Project of the Guizhou Provincial Science and Technology Department(Qiankehe Platform Talent-GCC[2023]018)the Major Project of Guizhou Province“Research and Application of Key Technologies for Trusted Large Models Oriented to Public Big Data”(Qiankehe Major Project[2024]003)the Guizhou Province Computational Power Network Security Protection Science and Technology Innovation Talent Team(Qiankehe Talent CXTD[2025]029).
文摘As blockchain technology rapidly evolves,smart contracts have seen widespread adoption in financial transactions and beyond.However,the growing prevalence of malicious Ponzi scheme contracts presents serious security threats to blockchain ecosystems.Although numerous detection techniques have been proposed,existing methods suffer from significant limitations,such as class imbalance and insufficient modeling of transaction-related semantic features.To address these challenges,this paper proposes an oversampling-based detection framework for Ponzi smart contracts.We enhance the Adaptive Synthetic Sampling(ADASYN)algorithm by incorporating sample proximity to decision boundaries and ensuring realistic sample distributions.This enhancement facilitates the generation of high-quality minority class samples and effectively mitigates class imbalance.In addition,we design a Contract Transaction Graph(CTG)construction algorithm to preserve key transactional semantics through feature extraction from contract code.A graph neural network(GNN)is then applied for classification.This study employs a publicly available dataset from the XBlock platform,consisting of 318 verified Ponzi contracts and 6498 benign contracts.Sourced from real Ethereum deployments,the dataset reflects diverse application scenarios and captures the varied characteristics of Ponzi schemes.Experimental results demonstrate that our approach achieves an accuracy of 96%,a recall of 92%,and an F1-score of 94%in detecting Ponzi contracts,outperforming state-of-the-art methods.
基金National Natural Science Foundation of China(42375153,42105153,42205157)Development of Science and Technology at Chinese Academy of Meteorological Sciences(2023KJ038)。
文摘Clouds play an important role in global atmospheric energy and water vapor budgets, and the low cloud simulations suffer from large biases in many atmospheric general circulation models. In this study, cloud microphysical processes such as raindrop evaporation and cloud water accretion in a double-moment six-class cloud microphysics scheme were revised to enhance the simulation of low clouds using the Global-Regional Integrated Forecast System(GRIST)model. The validation of the revised scheme using a single-column version of the GRIST demonstrated a reasonable reduction in liquid water biases. The revised parameterization simulated medium-and low-level cloud fractions that were in better agreement with the observations than the original scheme. Long-term global simulations indicate the mitigation of the originally overestimated low-level cloud fraction and cloud-water mixing ratio in mid-to high-latitude regions,primarily owing to enhanced accretion processes and weakened raindrop evaporation. The reduced low clouds with the revised scheme showed better consistency with satellite observations, particularly at mid-and high-latitudes. Further improvements can be observed in the simulated cloud shortwave radiative forcing and vertical distribution of total cloud cover. Annual precipitation in mid-latitude regions has also improved, particularly over the oceans, with significantly increased large-scale and decreased convective precipitation.
基金supported by the National Natural Science Foundation of China(52471240)the Natural Science Foundation of Zhejiang Province(LZ23B030003)+2 种基金the Fundamental Research Funds for the Central Universities(226-2024-00075)support from the Engineering and Physical Sciences Research Council(EPSRC,UK)RiR grant-RIR18221018-1EU COST CA23155。
文摘The electric double layer(EDL)at the electrochemical interface is crucial for ion transport,charge transfer,and surface reactions in aqueous rechargeable zinc batteries(ARZBs).However,Zn anodes routinely encounter persistent dendrite growth and parasitic reactions,driven by the inhomogeneous charge distribution and water-dominated environment within the EDL.Compounding this,classical EDL theory,rooted in meanfield approximations,further fails to resolve molecular-scale interfacial dynamics under battery-operating conditions,limiting mechanistic insights.Herein,we established a multiscale theoretical calculation framework from single molecular characteristics to interfacial ion distribution,revealing the EDL’s structure and interactions between different ions and molecules,which helps us understand the parasitic processes in depth.Simulations demonstrate that water dipole and sulfate ion adsorption at the inner Helmholtz plane drives severe hydrogen evolution and by-product formation.Guided by these insights,we engineered a“water-poor and anion-expelled”EDL using 4,1’,6’-trichlorogalactosucrose(TGS)as an electrolyte additive.As a result,Zn||Zn symmetric cells with TGS exhibited stable cycling for over 4700 h under a current density of 1 mA cm^(−2),while NaV_(3)O_(8)·1.5H_(2)O-based full cells kept 90.4%of the initial specific capacity after 800 cycles at 5 A g^(−1).This work highlights the power of multiscale theoretical frameworks to unravel EDL complexities and guide high-performance ARZB design through integrated theory-experiment approaches.
基金The Natural Science Foundation of Xinjiang Uygur Autonomous Region of China“RBF-Hermite difference scheme for the time-fractional kdv-Burgers equation”(2024D01C43)。
文摘In this paper,we present a finite volume trigonometric weighted essentially non-oscillatory(TWENO)scheme to solve nonlinear degenerate parabolic equations that may exhibit non-smooth solutions.The present method is developed using the trigonometric scheme,which is based on zero,first,and second moments,and the direct discontinuous Galerkin(DDG)flux is used to discretize the diffusion term.Moreover,the DDG method directly applies the weak form of the parabolic equation to each computational cell,which can better capture the characteristics of the solution,especially the discontinuous solution.Meanwhile,the third-order TVD-Runge-Kutta method is applied for temporal discretization.Finally,the effectiveness and stability of the method constructed in this paper are evaluated through numerical tests.
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partly supported by the Beijing Natural Science Foundation(Grant No.Z200003)by the National Natural Science Foundation of China(Grant Nos.12331015,12301475,12301465)+1 种基金by the National Center for Mathematics and Interdisciplinary Science,Chinese Academy of Sciencesby the Research Foundation for the Beijing University of Technology New Faculty(Grant No.006000514122516).
文摘This study proposes a class of augmented subspace schemes for the weak Galerkin(WG)finite element method used to solve eigenvalue problems.The augmented subspace is built with the conforming linear finite element space defined on the coarse mesh and the eigen-function approximations in the WG finite element space defined on the fine mesh.Based on this augmented subspace,solving the eigenvalue problem in the fine WG finite element space can be reduced to the solution of the linear boundary value problem in the same WG finite element space and a low dimensional eigenvalue problem in the augmented sub-space.The proposed augmented subspace techniques have the second order convergence rate with respect to the coarse mesh size,as demonstrated by the accompanying error esti-mates.Finally,a few numerical examples are provided to validate the proposed numerical techniques.
基金supported by the National Natural Science Foundation of China (No.52370174)the Natural Science Foundation of Shandong Province,China (No.ZR2022ME128)Special Projects in Key Areas of Colleges and Universities in Guangdong Province (No.2023ZDZX4050)。
文摘The excessive use of pesticides has exacerbated environmental pollution due to herbicide residues,while their persistent toxicity poses serious challenges to global ecological security.A magnetically recyclable CoFe_(2)O_(4)/BiOBr S-scheme heterojunctions was prepared by microwave-assisted co-precipitation method for photocatalytic degradation of Diuron(DUR) in water.The formation of S-scheme heterojunction enhances electron transfer and charge separation,which was demonstrated by free radical trapping,electrochemical experiments,and DFT calculations.The magnetic CoFe_(2)O_(4)/BiOBr catalysts can achieve 99.9 %removal of diuron in 50 min under visible light irradiation.Furthermore,the system maintains stable performance across a broad p H range(3-9),enabling adaptation to diverse water environments,effective elimination of multiple pollutants,and strong resistance to ionic interference.Using magnetic recovery,CoFe_(2)O_(4)/BiOBr exhibits a high removal rate of 99 % and a markedly low ion leaching rate(<20 μg/L) after six cycles photocatalytic process,confirming its excellent stability and durability.According to HPLCQTOF-MS and DFT calculation,the main ways of DUR degradation include dechlorinated hydroxylation,dealkylation and hydroxylation of aromatic ring and side chain.Toxicity analysis showed that the toxicity of the intermediates generated during degradation was generally lower than that of DUR.The magnetic CoFe_(2)O_(4)/BiOBr S-scheme heterojunction developed in this study exhibits excellent photocatalytic performance,high applicability,good stability,and durability,providing an effective magnetic for the removal of refractory pollutants.
基金supported by the National Natural Science Foundation of China(Grant No.11571181)by the Natural Science Foundation of Jiangsu Province(Grant No.BK20171454).
文摘In this paper,we propose and analyze two second-order accurate finite difference schemes for the one-dimensional heat equation with concentrated capacity on a computa-tional domain=[a,b].We first transform the target equation into the standard heat equation on the domain excluding the singular point equipped with an inner interface matching(IIM)condition on the singular point x=ξ∈(a,b),then adopt Taylor’s ex-pansion to approximate the IIM condition at the singular point and apply second-order finite difference method to approximate the standard heat equation at the nonsingular points.This discrete procedure allows us to choose different grid sizes to partition the two sub-domains[a,ξ]and[ξ,b],which ensures that x=ξ is a grid point,and hence the pro-posed schemes can be generalized to the heat equation with more than one concentrated capacities.We prove that the two proposed schemes are uniquely solvable.And through in-depth analysis of the local truncation errors,we rigorously prove that the two schemes are second-order accurate both in temporal and spatial directions in the maximum norm without any constraint on the grid ratio.Numerical experiments are carried out to verify our theoretical conclusions.
文摘This paper deals with the numerical solutions of two-dimensional(2D)semi-linear reaction-diffusion equations(SLRDEs)with piecewise continuous argument(PCA)in reaction term.A high-order compact difference method called Ⅰ-type basic scheme is developed for solving the equations and it is proved under the suitable conditions that this method has the computational accuracy O(τ^(2)+h_(x)^(4)+h_(y)^(4)),where τ,h_(x )and h_(y) are the calculation stepsizes of the method in t-,x-and y-direction,respectively.With the above method and Newton linearized technique,a Ⅱ-type basic scheme is also suggested.Based on the both basic schemes,the corresponding Ⅰ-and Ⅱ-type alternating direction implicit(ADI)schemes are derived.Finally,with a series of numerical experiments,the computational accuracy and efficiency of the four numerical schemes are further illustrated.
文摘It is a challenging task to efficiently convert deleterious hydrogen sulfide(H_(2)S)into less harmful products such as SO_(4)^(2-)species.In an effort to address such issue,a step-scheme(S-scheme)heterojunction photocatalyst has been built by concatenating TiO_(2)(P25)and ultrathin Bi_(4)O_(5)Br_(2)into TiO_(2)/Bi_(4)O_(5)Br_(2)(namely,x-TB-y:x and y denote the molar ratio of TiO_(2):Bi_(4)O_(5)Br_(2)and pH value for solution-based synthesis,respectively)via in-situ hydrothermal method.The S-scheme charge transfer pathway in TB is confirmed by electron spin resonance and band structure analysis while experimental data and density functional theory calculations suggest the formation of an internal electric field to facilitate the separation and transfer of photoinduced charge carriers.Accordingly,the optimized heterojunction photocatalyst,i.e.,5-TB-9,showcases significantly high(>99%)removal efficiency against 10 ppm H_(2)S in a 17 L chamber within 12 minutes(removal kinetic rate r:0.7 mmol·h^(-1)·g^(-1),specific clean air delivery rate SCADR:5554 L·h^(-1)·g^(-1),quantum yield QY:3.24 E-3 molecules·photon^(-1),and space-time yield STY:3.24 E-3 molecules·photon^(-1)·mg^(-1)).Combined analysis of in-situ diffuse reflectance infrared Fourier transform adsorption spectra and gas chromatography-mass spectrometry allows to evaluate the mechanisms leading to the complete degradation of H_(2)S(i.e.,into SO_(4)^(2-)without forming any intermediate species).This work demonstrates the promising remediation potential of an S-scheme TiO_(2)/Bi_(4)O_(5)Br_(2)photocatalyst against hazardous H_(2)S gas for sustainable environmental remediation.
文摘Three dimensional Euler equations are solved in the finite volume form with van Leer's flux vector splitting technique. Block matrix is inverted by Gauss-Seidel iteration in two dimensional plane while strongly implicit alternating sweeping is implemented in the direction of the third dimension. Very rapid convergence rate is obtained with CFL number reaching the order of 100. The memory resources can be greatly saved too. It is verified that the reflection boundary condition can not be used with flux vector splitting since it will produce too large numerical dissipation. The computed flow fields agree well with experimental results. Only one or two grid points are there within the shock transition zone.
文摘Since governing equations are discretized using a finite volume method for FV TVD scheme, we use integral governing equations to solve the flow field. We achieve N S equations in terms of cylinder coordinate velocity components in an arbitrary curvilinear coordinate using a tensor analytic method to the integral governing equations. It’s also testified that term g which include Jacobian can be reduced when governing equations are discretized on an infinitesimal small control volume. Numerical calculations indicated that this scheme can capture shocks and contact discontinuities exactly and the solution with this treatment is in good agreement with the experimental data.
文摘In order to investigate parameters of FAE (fuel air explosive) explosion, the two-phase gas-droplet conservation equations with two-dimensional axial symmetry in the Euler coordinate were used. High-resolution implicit TVD ( total variation diminishing) schemes were applied to gas phase equations and MacCormack schemes to liquid equations. The formation and propagation of gas-droplet detonation wave were simulated numerically. The simulation results and the others are compared with a good agreement.
文摘The quantitative rules of the transfer and variation of errors,when the Gaussian integral functions F.(z) are evaluated sequentially by recurring,have been expounded.The traditional viewpoint to negate the applicability and reliability of upward recursive formula in principle is amended.An optimal scheme of upward-and downward-joint recursions has been developed for the sequential F(z) computations.No additional accuracy is needed with the fundamental term of recursion because the absolute error of Fn(z) always decreases with the recursive approach.The scheme can be employed in modifying any of existent subprograms for Fn<z> computations.In the case of p-d-f-and g-type Gaussians,combining this method with Schaad's formulas can reduce,at least,the additive operations by a factor 40%;the multiplicative and exponential operations by a factor 60%.
基金the support by the National Basic Research Program of China(Nos.2009CB421201,2011CB403501)the National Natural Science Foundation of China(Nos.40876012,41076007)
文摘Different advection schemes and two-equation turbulence closure models based on eddy viscosity concept are used to compute the drag coefficient around a circular cylinder at high Reynolds number (106).The numerical results from these simulations are compared with each other and with experimental data in order to evaluate the performance of different combinations of advection scheme and two-equation turbulence model.The separate contributions from form drag and friction drag are also ana-lyzed.The computational results show that the widely used standard k-ε turbulence closure is not suitable for such kind of study,while the other two-equation turbulence closure models produce acceptable results.The influence of the different advection schemes on the final results are small compared to that produced by the choice of turbulence closure method. The present study serves as a reference for the choice of advection schemes and turbulence closure models for more complex numerical simulation of the flow around a circular cylinder at high Reynolds number.
基金financially supported by the National Natural Science Foundation of China(Nos.22173047 and 51931003)the Natural Science Foundation of Jiangsu Province(No.BK20211198)+1 种基金the Sino-German Mobility Program of the Sino-German Center for Research Promotion(Grant M-0147)the Fundamental Research Funds for the Central Universities(Nos.30920041116,30919011254,and 30919011405).
文摘We present the High-Throughput Computing and Statistical Analysis(HCSA)scheme,which efficiently and accurately predicts the stacking fault energies(SFEs)of multi-principal element alloys(MPEAs).Our approach estimates the SFE of a single complex supercell by averaging numerous SFEs from small supercells,resulting in superior accuracy compared to traditional density functional theory(DFT)calculations.To validate our scheme,we applied it to NiFe and Ni_(10)Co_(60)Cr_(25)W_(5)alloys,achieving an SFE error of only 11%,in contrast to the 45%error obtained from traditional DFT calculations for NiFe.We observed a strong correlation between the average SFEs of samples with the same valence electron concentration as that of the experimental data.Our scheme provides an efficient and reliable tool for predicting SFEs in MPEAs and holds the potential to significantly accelerate materials design and discovery processes.
