Plasmonic nanoantennas provide unique opportunities for precise control of light–matter coupling in surface-enhanced infrared absorption(SEIRA)spectroscopy,but most of the resonant systems realized so far suffer from...Plasmonic nanoantennas provide unique opportunities for precise control of light–matter coupling in surface-enhanced infrared absorption(SEIRA)spectroscopy,but most of the resonant systems realized so far suffer from the obstacles of low sensitivity,narrow bandwidth,and asymmetric Fano resonance perturbations.Here,we demonstrated an overcoupled resonator with a high plasmon-molecule coupling coefficient(μ)(OC-Hμresonator)by precisely controlling the radiation loss channel,the resonator-oscillator coupling channel,and the frequency detuning channel.We observed a strong dependence of the sensing performance on the coupling state,and demonstrated that OC-Hμresonator has excellent sensing properties of ultra-sensitive(7.25%nm^(−1)),ultra-broadband(3–10μm),and immune asymmetric Fano lineshapes.These characteristics represent a breakthrough in SEIRA technology and lay the foundation for specific recognition of biomolecules,trace detection,and protein secondary structure analysis using a single array(array size is 100×100μm^(2)).In addition,with the assistance of machine learning,mixture classification,concentration prediction and spectral reconstruction were achieved with the highest accuracy of 100%.Finally,we demonstrated the potential of OC-Hμresonator for SARS-CoV-2 detection.These findings will promote the wider application of SEIRA technology,while providing new ideas for other enhanced spectroscopy technologies,quantum photonics and studying light–matter interactions.展开更多
Catalyst–support interaction plays a crucial role in improving the catalytic activity of oxygen evolution reaction(OER).Here we modulate the catalyst–support interaction in polyaniline-supported Ni_(3)Fe oxide(Ni_(3...Catalyst–support interaction plays a crucial role in improving the catalytic activity of oxygen evolution reaction(OER).Here we modulate the catalyst–support interaction in polyaniline-supported Ni_(3)Fe oxide(Ni_(3)Fe oxide/PANI)with a robust hetero-interface,which significantly improves oxygen evolution activities with an overpotential of 270 mV at 10 mA cm^(-2)and specific activity of 2.08 mA cm_(ECSA)^(-2)at overpotential of 300 mV,3.84-fold that of Ni_(3)Fe oxide.It is revealed that the catalyst–support interaction between Ni_(3)Fe oxide and PANI support enhances the Ni–O covalency via the interfacial Ni–N bond,thus promoting the charge and mass transfer on Ni_(3)Fe oxide.Considering the excellent activity and stability,rechargeable Zn-air batteries with optimum Ni_(3)Fe oxide/PANI are assembled,delivering a low charge voltage of 1.95 V to cycle for 400 h at 10 mA cm^(-2).The regulation of the effect of catalyst–support interaction on catalytic activity provides new possibilities for the future design of highly efficient OER catalysts.展开更多
Using the Bose-Fermi mapping method,we obtain the exact ground state wavefunction of one-dimensional(1D)Bose gas with the zero-range dipolar interaction in the strongly repulsive contact interaction limit.Its ground s...Using the Bose-Fermi mapping method,we obtain the exact ground state wavefunction of one-dimensional(1D)Bose gas with the zero-range dipolar interaction in the strongly repulsive contact interaction limit.Its ground state density distributions for both repulsive and attractive dipole interactions are exhibited.It is shown that in the case of the finite dipole interaction the density profiles do not change obviously with the increase of dipole interaction and display the typical shell structure of Tonks-Girardeau gases.As the repulsive dipole interaction is greatly strong,the density decreases at the center of the trap and displays a sunken valley.As the attractive dipole interaction increases,the density displays more oscillations and sharp peaks appear in the strong attraction limit,which mainly originate from the atoms occupying the low single particle levels.展开更多
The interaction between charge and spin degrees of freedom has always been the central issue of condensed matter physics,and transition metal dichalcogenides(TMDs)provide an ideal platform to study it benefiting from ...The interaction between charge and spin degrees of freedom has always been the central issue of condensed matter physics,and transition metal dichalcogenides(TMDs)provide an ideal platform to study it benefiting from their highly tunable properties.In this article,the influence of Fe intercalation in NbSe_(2)was elaborately investigated using a combination of techniques.Magnetic studies have shown that the insertion of Fe atoms induces an antiferromagnetic state in which the easy axis aligns out of the plane.The sign reversal of the magnetoresistance across the Neel temperature can be satisfactorily explained by the moderate interaction between electrons and local spins.The Hall and Seebeck measurements reveal a multi-band nature,and the contribution of various phonon scattering processes is discussed based on the thermal conductivity and specific heat data.展开更多
Micrometer-sized silicon oxide(SiO)anodes encounter challenges in large-scale applications due to significant volume expansion during the alloy/de-alloy process.Herein,an innovative deep eutectic electrolyte derived f...Micrometer-sized silicon oxide(SiO)anodes encounter challenges in large-scale applications due to significant volume expansion during the alloy/de-alloy process.Herein,an innovative deep eutectic electrolyte derived from succinonitrile is introduced to enhance the cycling stability of SiO anodes.Density functional theory calculations validate a robust ion-dipole interaction between lithium ions(Li^(+))and succinonitrile(SN).The cosolvent fluoroethylene carbonate(FEC)optimizes the Li^(+)solvation structure in the SN-based electrolyte with its weakly solvating ability.Molecular dynamics simulations investigate the regulating mechanism of ion-dipole and cation-anion interaction.The unique Li^(+)solvation structure,enriched with FEC and TFSI^(-),facilitates the formation of an inorganic-organic composite solid electrolyte interphase on SiO anodes.Micro-CT further detects the inhibiting effect on the SiO volume expansion.As a result,the SiO|LiCoO_(2) full cells exhibit excellent electrochemical performance in deep eutectic-based electrolytes.This work presents an effective strategy for extending the cycle life of SiO anodes by designing a new SN-based deep eutectic electrolyte.展开更多
Lithium-ion batteries are widely recognized as prime candidates for energy storage devices.Ethylene carbonate(EC)has become a critical component in conventional commercial electrolytes due to its exceptional film-form...Lithium-ion batteries are widely recognized as prime candidates for energy storage devices.Ethylene carbonate(EC)has become a critical component in conventional commercial electrolytes due to its exceptional film-forming properties and high dielectric constant.However,the elevated freezing point,high viscosity,and strong solvation energy of EC significantly hinder the transport rate of Li^(+)and the desolvation process at low temperatures.This leads to substantial capacity loss and even lithium plating on graphite anodes.Herein,we have developed an efficient electrolyte system specifically designed for lowtemperature conditions,which consists of 1.0 M lithium bis(fluorosulfonyl)imide(LiFSI)in isoxazole(IZ)with fluorobenzene(FB)as an uncoordinated solvent and fluoroethylene carbonate(FEC)as a filmforming co-solvent.This system effectively lowers the desolvation energy of Li^(+)through dipole-dipole interactions.The weak solvation capability allows more anions to enter the solvation sheath,promoting the formation of contact ion pairs(CIPs)and aggregates(AGGs)that enhance the transport rate of Li^(+)while maintaining high ionic conductivity across a broad temperature range.Moreover,the formation of inorganic-dominant interfacial phases on the graphite anode,induced by fluoroethylene carbonate,significantly enhances the kinetics of Li^(+)transport.At a low temperature of-20℃,this electrolyte system achieves an impressive reversible capacity of 200.9 mAh g^(-1)in graphite half-cell,which is nearly three times that observed with conventional EC-based electrolytes,demonstrating excellent stability throughout its operation.展开更多
Based on the train-track coupling dynamics and high-speed train aerodynamics, this paper deals with an improved algorithm for fluid-structure interaction of high-speed trains. In the algorithm, the data communication ...Based on the train-track coupling dynamics and high-speed train aerodynamics, this paper deals with an improved algorithm for fluid-structure interaction of high-speed trains. In the algorithm, the data communication between fluid solver and structure solver is avoided by inserting the program of train-track coupling dynamics into fluid dynamics program, and the relaxation factor concerning the load boundary of the fluid-structure interface is introduced to improve the fluctuation and convergence of aerodynamic forces. With this method, the fluid-structure dynamics of a highspeed train are simulated under the condition that the velocity of crosswind is 13.8 m/s and the train speed is 350 km/h. When the relaxation factor equals 0.5, the fluctuation of aerodynamic forces is lower and its convergence is faster than in other cases. The side force and lateral displacement of the head train are compared between off-line simulation and co-simulation. Simulation results show that the fluid-structure interaction has a significant influence on the aerodynam- ics and attitude of the head train under crosswind conditions. In addition, the security indexes of the head train worsen after the fluid-structure interaction calculation. Therefore, the fluid-structure interaction calculation is necessary for high-speed trains.展开更多
Spin-orbit interaction(SOI)can be introduced by the proximity effect to modulate the electronic properties of graphene-based heterostructures.In this work,we stack trilayer WSe_(2) on Bernal tetralayer graphene to inv...Spin-orbit interaction(SOI)can be introduced by the proximity effect to modulate the electronic properties of graphene-based heterostructures.In this work,we stack trilayer WSe_(2) on Bernal tetralayer graphene to investigate the influence of SOI on the anomalous Hall effect(AHE).In this structurally asymmetric device,by comparing the magnitude of AHE at positive and negative displacement fields,we find that AHE is strongly enhanced by bringing electrons in proximity to the WSe_(2) layer.Meanwhile,the enhanced AHE signal persists up to 80 K,providing important routes for topological device applications at high temperatures.展开更多
Rockbursts, which mainly affect mining roadways, are dynamic disasters arising from the surrounding rock under high stress. Understanding the interaction between supports and the surrounding rock is necessary for effe...Rockbursts, which mainly affect mining roadways, are dynamic disasters arising from the surrounding rock under high stress. Understanding the interaction between supports and the surrounding rock is necessary for effective rockburst control. In this study, the squeezing behavior of the surrounding rock is analyzed in rockburst roadways, and a mechanical model of rockbursts is established considering the dynamic support stress, thus deriving formulas and providing characteristic curves for describing the interaction between the support and surrounding rock. Design principles and parameters of supports for rockburst control are proposed. The results show that only when the geostress magnitude exceeds a critical value can it drive the formation of rockburst conditions. The main factors influencing the convergence response and rockburst occurrence around roadways are geostress, rock brittleness, uniaxial compressive strength, and roadway excavation size. Roadway support devices can play a role in controlling rockburst by suppressing the squeezing evolution of the surrounding rock towards instability points of rockburst. Further, the higher the strength and the longer the impact stroke of support devices with constant resistance, the more easily multiple balance points can be formed with the surrounding rock to control rockburst occurrence. Supports with long impact stroke allow adaptation to varying geostress levels around the roadway, aiding in rockburst control. The results offer a quantitative method for designing support systems for rockburst-prone roadways. The design criterion of supports is determined by the intersection between the convergence curve of the surrounding rock and the squeezing deformation curve of the support devices.展开更多
Covalent organic framework nanosheets(CONs)with porous crystalline features and ultrathin thickness are ideal candidates as membrane building blocks to form well-defined transfer nanochannels.The formidable challenge ...Covalent organic framework nanosheets(CONs)with porous crystalline features and ultrathin thickness are ideal candidates as membrane building blocks to form well-defined transfer nanochannels.The formidable challenge behind self-supporting CONs membrane lies in weak noncovalent interlayer interactions and thus loose stacking,insufficient strength and structure stabilities.Herein,we propose the fabrication of interlayer force-strengthened freestanding CONs membrane through the electrostatic attraction bridge effect of positively-charged amino-rich CONs(CON-NH2)to negatively-charged sulfonated CONs(CON-SO_(3)H).Ultrathin and large lateral sized CON-SO_(3)H and CON-NH2 are synthesized,followed by restacking to prepare freestanding CONs membrane with CON-SO_(3)H as the membrane bulk.Benefiting from effective interlayer interconnection due to strong electrostatic interaction,the obtained CON-SO_(3)H/CON-NH2 membrane displays features of ultrahigh integrity,dense stacking,eminent water/acid/base/organic solvents stabilities and mechanical strength(109 MPa).The shortened-SO_(3)H distance contributes to construct site-continuous transfer pathways,and the deprotonated-SO_(3)H and protonated-NH2 form acid-base pairs to decrease interfacial resistance,which impart membrane superior proton conductivity of 486 mS cm^(-1)(80℃,100%RH).This interlayer force enhancement strategy offers a promising perspective on achieving densely-stacked CONs membrane with ultrahigh mechanical property and conduction performance for fuel cell application.展开更多
The glutenite reservoir is strongly heterogeneous due to the random distribution of gravels, making it challenging to perform hydraulic fracturing effectively. To solve this issue, it is essential to study interaction...The glutenite reservoir is strongly heterogeneous due to the random distribution of gravels, making it challenging to perform hydraulic fracturing effectively. To solve this issue, it is essential to study interaction behavior between hydraulic fractures(HFs) and gravels. A coupled hydro-mechanical model is proposed for HF propagation in glutenite using a grain-based discrete element method. This paper first investigates the dynamic evolution of HFs in glutenite, then analyzes the influences of various factors such as horizontal stress difference(Δσ), minimum horizontal stress(σh), gravel content(Vg), gravel size(dg), and stiffness ratio of gravel to matrix(Rs) on HF propagation geometries. Results show that penetrating the gravel is the primary HF-gravel interaction behavior, which follows sequential and staggered initiation modes. Bypassing the gravel is the secondary behavior, which obeys the sequential initiation mode and occurs when the orientation of the gravel boundary is inclined to the maximum horizontal stress(σH). An offset along the gravel boundary is usually formed while penetrating gravels, and the offsets may cause fracture widths to decrease by 37.8%-84.4%. Even if stress dominates the direction of HF propagation, HFs still tend to deflect within gravels. The deviation angle from σH decreases with rising Δσand increases with the increase of dgand Rs. Additionally, intra-gravel shear HFs(IGS-HFs) are prone to be generated in coarse-grained glutenite under high Δσ, while more gravel-bypassing shear HFs(GBSHFs) tend to be created in argillaceous glutenite with high Rsthan in sandy glutenite with low Rs. The findings above prompt the emergence of a novel HF propagation pattern in glutenite, which helps to understand the real HF geometries and to provide theoretical guidance for treatments in the field.展开更多
One effective approach to strike the balance between ionic conductivity and mechanical strength in polymer electrolytes involves the design of a coupled polymer molecular structure comprising both rigid and flexible p...One effective approach to strike the balance between ionic conductivity and mechanical strength in polymer electrolytes involves the design of a coupled polymer molecular structure comprising both rigid and flexible phases.Nevertheless,the regulation of intermolecular interactions between plasticizers and rigid and flexible phases has been largely overlooked.Here,an intermolecular interaction engineering strategy is carried out with well-chosen dual-plasticize within qua si-sol id-state polymer electrolytes(QSPEs).Succinonitrile exhibits a stronger affinity towards rigid phase hydrogenated nitrile butadiene rubber(HNBR),while propene carbonate demonstrates a stronger affinity towards flexible segments poly(propylene carbonate)(PPC).This tailored intermolecular interaction engineering allows for differential plasticization of the polymer's rigid and flexible phases,thereby achieving a balance between ionic conductivity and mechanical strength.The QSPE have both higher ionic conductivity(1.04×10^(-4)S cm^(-1)at 30℃),t_(Li+)(0.55),and tensile strength(0.76 MPa).Li//Li symmetric cells maintaining performance over1100 h at 0.1 mA cm^(-2)and Li//LiFePO_(4)cells retaining 85.0%capacity after 700 cycles at 1.0 C.It is a unique angle to employ intermolecular interaction engineering in QSPEs through dual-plasticizer approach combined with CO_(2)-based polymer materials.This sustainable strategy combining dual-plasticizer engineering with CO_(2)-based polymers,offers insights for designing high-performance,eco-friendly lithium metal batteries.展开更多
In this paper, an investigation into the propagation of far field explosion waves in water and their effects on nearby structures are carried out. For the far field structure, the motion of the fluid surrounding the s...In this paper, an investigation into the propagation of far field explosion waves in water and their effects on nearby structures are carried out. For the far field structure, the motion of the fluid surrounding the structure may be assumed small, allowing linearization of the governing fluid equations. A complete analysis of the problem must involve simultaneous solution of the dynamic response of the structure and the propagation of explosion wave in the surrounding fluid. In this study, a dynamic adaptive finite element procedure is proposed. Its application to the solution of a 2D fluid-structure interaction is investigated in the time domain. The research includes：a） calculation of the far-field scatter wave due to underwater explosion including solution of the time-depended acoustic wave equation, b） fluid-structure interaction analysis using coupled Euler-Lagrangian approach, and c） adaptive finite element procedures employing error estimates, and re-meshing. The temporal mesh adaptation is achieved by local regeneration of the grid using a time-dependent error indicator based on curvature of pressure function. As a result, the overall response is better predicted by a moving mesh than an equivalent uniform mesh. In addition, the cost of computation for large problems is reduced while the accuracy is improved.展开更多
The article discusses the use of pulse-width modulation signals to generate low-temperature atmospheric plasma in an inert gas environment.The results of studies of the energy consumption of a low-temperature plasma g...The article discusses the use of pulse-width modulation signals to generate low-temperature atmospheric plasma in an inert gas environment.The results of studies of the energy consumption of a low-temperature plasma generation system depending on the duty rate,as well as the pulse repetition rate,are presented.The operating modes of the system have been established,in which a minimum of energy consumption is achieved.The issues of evaluating the interaction of plasma with objects based on the analysis of changes in signal parameters in the high-voltage circuit of the generator are also considered.展开更多
Clarifying the gas ingestion mechanism in the turbine disc cavity of marine gas turbines is crucial for ensuring the normal operation of turbines.However, the ingestion is influenced by factors such as the rotational ...Clarifying the gas ingestion mechanism in the turbine disc cavity of marine gas turbines is crucial for ensuring the normal operation of turbines.However, the ingestion is influenced by factors such as the rotational pumping effect, mainstream pressure asymmetry, rotor–stator interaction,and unsteady flow structures, complicating the flow. To investigate the impact of rotor–stator interaction on ingestion, this paper decouples the model to include only the mainstream. This research employs experiments and numerical simulations to examine the effects of varying the flow coefficient through changes in rotational speed and mainstream flow rate. The main objective is to understand the influence of different rotor–stator interactions on the mainstream pressure field, accompanied by mechanistic explanations. The findings reveal inconsistent effects of the two methods for changing the flow coefficient on the mainstream pressure field. Particularly, the pressure distribution on the vane side primarily depends on the mainstream flow rate, while the pressure on the blade side is influenced by the mainstream flow rate and the attack angle represented by the flow coefficient. A larger angle of attack angle can increase pressure on the blade side, even surpassing the pressure on the vane side. Assessing the degree of mainstream pressure unevenness solely based on the pressure difference on the vane side is insufficient. This research provides a basis for subsequent studies on the influence of coupled real turbine rotor–stator interaction on gas ingestion.展开更多
Accurately estimating protein–ligand binding free energy is crucial for drug design and biophysics, yet remains a challenging task. In this study, we applied the screening molecular mechanics/Poisson–Boltzmann surfa...Accurately estimating protein–ligand binding free energy is crucial for drug design and biophysics, yet remains a challenging task. In this study, we applied the screening molecular mechanics/Poisson–Boltzmann surface area(MM/PBSA)method in combination with various machine learning techniques to compute the binding free energies of protein–ligand interactions. Our results demonstrate that machine learning outperforms direct screening MM/PBSA calculations in predicting protein–ligand binding free energies. Notably, the random forest(RF) method exhibited the best predictive performance,with a Pearson correlation coefficient(rp) of 0.702 and a mean absolute error(MAE) of 1.379 kcal/mol. Furthermore, we analyzed feature importance rankings in the gradient boosting(GB), adaptive boosting(Ada Boost), and RF methods, and found that feature selection significantly impacted predictive performance. In particular, molecular weight(MW) and van der Waals(VDW) energies played a decisive role in the prediction. Overall, this study highlights the potential of combining machine learning methods with screening MM/PBSA for accurately predicting binding free energies in biosystems.展开更多
A computational procedure is developed to solve the problems of coupled motion of a structure and a viscous incompressible fluid. In order to incorporate the effect of the moving surface of the structure as well as th...A computational procedure is developed to solve the problems of coupled motion of a structure and a viscous incompressible fluid. In order to incorporate the effect of the moving surface of the structure as well as the free surface motion, the arbitrary Lagrangian-Eulerian formulation is employed as the basis of the finite element spatial discretization. For numerical integration in time, the fraction,step method is used. This method is useful because one can use the same linear interpolation function for both velocity and pressure. The method is applied to the nonlinear interaction of a structure and a tuned liquid damper. All computations are performed with a personal computer.展开更多
The phenomenon of shock/shock interaction(SSI)is widely observed in high-speed flow,and the double wedge SSI represents one of the typical problems encountered.The control effect of single-pulse plasma synthetic jet(P...The phenomenon of shock/shock interaction(SSI)is widely observed in high-speed flow,and the double wedge SSI represents one of the typical problems encountered.The control effect of single-pulse plasma synthetic jet(PSJ)on double wedge type-Ⅵand type-ⅤSSI was investigated experimentally and numerically,and the influence of discharge energy was also explored.The findings indicate that the interaction between PSJ and the high-speed freestream results in the formation of a plasma layer and a jet shock,which collectively governs the control of SSI.The control mechanism of single-pulse PSJ on SSI lies in its capacity to attenuate both shock and SSI.For type-ⅥSSI,the original second-wedge oblique shock is eliminated under the control of PSJ,resulting in a new type-ⅥSSI formed by the jet shock and the first-wedge oblique shock.For type-ⅤSSI,the presence of PSJ effectively mitigates the intensity of Mach stem,supersonic jet,and reflected shocks,thereby facilitating its transition into type-ⅥSSI.The numerical results indicate that the peak pressure can be reduced by approximately 32.26%at maximum.Furthermore,the development of PSJ also extends in the Z direction.The pressure decreases in the area affected by both PSJ and jet shock due to the attenuation of the SSI zone.With increasing discharge energy,the control effect of PSJ on SSI is gradually enhanced.展开更多
In this paper, we report our study on a numerical fluid-structure interaction problem originally presented by Mok et al.(2001) in two dimensions and later studied in three dimensions by Valdés Vazquez(2007), Lomb...In this paper, we report our study on a numerical fluid-structure interaction problem originally presented by Mok et al.(2001) in two dimensions and later studied in three dimensions by Valdés Vazquez(2007), Lombardi(2012), and Trimarchi(2012). We focus on a 3D test case in which we evaluated the sensitivity of several input parameters on the fluid and structural results. In particular, this analysis provides a starting point from which we can look deeper into specific aspects of these simulations and analyze more realistic cases, e.g., in sails design. In this study, using the commercial software ADINATM, we addressed a well-known unsteadiness problem comprising a square box representing the fluid domain with a flexible bottom modeled with structural shell elements. We compared data from previously published work whose authors used the same numerical approach, i.e., a partitioned approach coupling a finite volume solver(for the fluid domain) and a finite element solver(for the solid domain). Specifically, we established several benchmarks and made comparisons with respect to fluid and solid meshes, structural element types, and structural damping, as well as solution algorithms. Moreover, we compared our method with a monolithic finite element solution method. Our comparisons of new and old results provide an outline of best practices for such simulations.展开更多
In order to simulate and analyze the dynamic characteristics of the parachute from advanced tactical parachute system(ATPS),a nonlinear finite element algorithm and a preconditioning finite volume method are employed ...In order to simulate and analyze the dynamic characteristics of the parachute from advanced tactical parachute system(ATPS),a nonlinear finite element algorithm and a preconditioning finite volume method are employed and developed to construct three dimensional parachute fluid-structure interaction(FSI)model.Parachute fabric material is represented by membrane-cable elements,and geometrical nonlinear algorithm is employed with wrinkling technique embedded to simulate the large deformations of parachute structure by applying the NewtonRaphson iteration method.On the other hand,the time-dependent flow surrounding parachute canopy is simulated using preconditioned lower-upper symmetric Gauss-Seidel(LU-SGS)method.The pseudo solid dynamic mesh algorithm is employed to update the flow-field mesh based on the complex and arbitrary motion of parachute canopy.Due to the large amount of computation during the FSI simulation,massage passing interface(MPI)parallel computation technique is used for all those three modules to improve the performance of the FSI code.The FSI method is tested to simulate one kind of ATPS parachutes to predict the parachute configuration and anticipate the parachute descent speeds.The comparison of results between the proposed method and those in literatures demonstrates the method to be a useful tool for parachute designers.展开更多
基金supported by A*STAR under the“Nanosystems at the Edge”program(Grant No.A18A4b0055)Ministry of Education(MOE)under the research grant of R-263-000-F18-112/A-0009520-01-00+1 种基金National Research Foundation Singapore grant CRP28-2022-0038the Reimagine Re-search Scheme(RRSC)Project(Grant A-0009037-02-00&A0009037-03-00)at National University of Singapore.
文摘Plasmonic nanoantennas provide unique opportunities for precise control of light–matter coupling in surface-enhanced infrared absorption(SEIRA)spectroscopy,but most of the resonant systems realized so far suffer from the obstacles of low sensitivity,narrow bandwidth,and asymmetric Fano resonance perturbations.Here,we demonstrated an overcoupled resonator with a high plasmon-molecule coupling coefficient(μ)(OC-Hμresonator)by precisely controlling the radiation loss channel,the resonator-oscillator coupling channel,and the frequency detuning channel.We observed a strong dependence of the sensing performance on the coupling state,and demonstrated that OC-Hμresonator has excellent sensing properties of ultra-sensitive(7.25%nm^(−1)),ultra-broadband(3–10μm),and immune asymmetric Fano lineshapes.These characteristics represent a breakthrough in SEIRA technology and lay the foundation for specific recognition of biomolecules,trace detection,and protein secondary structure analysis using a single array(array size is 100×100μm^(2)).In addition,with the assistance of machine learning,mixture classification,concentration prediction and spectral reconstruction were achieved with the highest accuracy of 100%.Finally,we demonstrated the potential of OC-Hμresonator for SARS-CoV-2 detection.These findings will promote the wider application of SEIRA technology,while providing new ideas for other enhanced spectroscopy technologies,quantum photonics and studying light–matter interactions.
基金Research Institute for Smart Energy(CDB2)the grant from the Research Institute for Advanced Manufacturing(CD8Z)+4 种基金the grant from the Carbon Neutrality Funding Scheme(WZ2R)at The Hong Kong Polytechnic Universitysupport from the Hong Kong Polytechnic University(CD9B,CDBZ and WZ4Q)the National Natural Science Foundation of China(22205187)Shenzhen Municipal Science and Technology Innovation Commission(JCYJ20230807140402006)Start-up Foundation for Introducing Talent of NUIST and Natural Science Foundation of Jiangsu Province of China(BK20230426).
文摘Catalyst–support interaction plays a crucial role in improving the catalytic activity of oxygen evolution reaction(OER).Here we modulate the catalyst–support interaction in polyaniline-supported Ni_(3)Fe oxide(Ni_(3)Fe oxide/PANI)with a robust hetero-interface,which significantly improves oxygen evolution activities with an overpotential of 270 mV at 10 mA cm^(-2)and specific activity of 2.08 mA cm_(ECSA)^(-2)at overpotential of 300 mV,3.84-fold that of Ni_(3)Fe oxide.It is revealed that the catalyst–support interaction between Ni_(3)Fe oxide and PANI support enhances the Ni–O covalency via the interfacial Ni–N bond,thus promoting the charge and mass transfer on Ni_(3)Fe oxide.Considering the excellent activity and stability,rechargeable Zn-air batteries with optimum Ni_(3)Fe oxide/PANI are assembled,delivering a low charge voltage of 1.95 V to cycle for 400 h at 10 mA cm^(-2).The regulation of the effect of catalyst–support interaction on catalytic activity provides new possibilities for the future design of highly efficient OER catalysts.
基金Project supported by the National Natural Science Foundation of China(Grant No.11174026)。
文摘Using the Bose-Fermi mapping method,we obtain the exact ground state wavefunction of one-dimensional(1D)Bose gas with the zero-range dipolar interaction in the strongly repulsive contact interaction limit.Its ground state density distributions for both repulsive and attractive dipole interactions are exhibited.It is shown that in the case of the finite dipole interaction the density profiles do not change obviously with the increase of dipole interaction and display the typical shell structure of Tonks-Girardeau gases.As the repulsive dipole interaction is greatly strong,the density decreases at the center of the trap and displays a sunken valley.As the attractive dipole interaction increases,the density displays more oscillations and sharp peaks appear in the strong attraction limit,which mainly originate from the atoms occupying the low single particle levels.
基金Project supported by the National Natural Science Foundation of China(Grant No.12274440)the National Key R&D Program of China(Grant No.2022YFA1403903)+1 种基金the Strategic Priority Research Program(B)of the Chinese Academy of Sciences(Grant No.XDB33010100)the Fund of the Synergetic Extreme Condition User Facility(SECUF)。
文摘The interaction between charge and spin degrees of freedom has always been the central issue of condensed matter physics,and transition metal dichalcogenides(TMDs)provide an ideal platform to study it benefiting from their highly tunable properties.In this article,the influence of Fe intercalation in NbSe_(2)was elaborately investigated using a combination of techniques.Magnetic studies have shown that the insertion of Fe atoms induces an antiferromagnetic state in which the easy axis aligns out of the plane.The sign reversal of the magnetoresistance across the Neel temperature can be satisfactorily explained by the moderate interaction between electrons and local spins.The Hall and Seebeck measurements reveal a multi-band nature,and the contribution of various phonon scattering processes is discussed based on the thermal conductivity and specific heat data.
基金supported by the National Natural Science Foundation of China(22279026)the National Key Research and Development Program of China(2022YFE0138900)+2 种基金the Young Elite Scientist sponsorship program by CAST(no.20200148)the Natural Science Funds of Heilongjiang Province(YQ2021B003)the Fundamental Research Funds for the Central Universities(grant no.HIT.OCEF.2022017).
文摘Micrometer-sized silicon oxide(SiO)anodes encounter challenges in large-scale applications due to significant volume expansion during the alloy/de-alloy process.Herein,an innovative deep eutectic electrolyte derived from succinonitrile is introduced to enhance the cycling stability of SiO anodes.Density functional theory calculations validate a robust ion-dipole interaction between lithium ions(Li^(+))and succinonitrile(SN).The cosolvent fluoroethylene carbonate(FEC)optimizes the Li^(+)solvation structure in the SN-based electrolyte with its weakly solvating ability.Molecular dynamics simulations investigate the regulating mechanism of ion-dipole and cation-anion interaction.The unique Li^(+)solvation structure,enriched with FEC and TFSI^(-),facilitates the formation of an inorganic-organic composite solid electrolyte interphase on SiO anodes.Micro-CT further detects the inhibiting effect on the SiO volume expansion.As a result,the SiO|LiCoO_(2) full cells exhibit excellent electrochemical performance in deep eutectic-based electrolytes.This work presents an effective strategy for extending the cycle life of SiO anodes by designing a new SN-based deep eutectic electrolyte.
基金financial support from the Department of Science and Technology of Jilin Province(20240304104SF,20240304103SF)the Research and Innovation Fund of the Beihua University for the Graduate Student(Major Project 2023012)。
文摘Lithium-ion batteries are widely recognized as prime candidates for energy storage devices.Ethylene carbonate(EC)has become a critical component in conventional commercial electrolytes due to its exceptional film-forming properties and high dielectric constant.However,the elevated freezing point,high viscosity,and strong solvation energy of EC significantly hinder the transport rate of Li^(+)and the desolvation process at low temperatures.This leads to substantial capacity loss and even lithium plating on graphite anodes.Herein,we have developed an efficient electrolyte system specifically designed for lowtemperature conditions,which consists of 1.0 M lithium bis(fluorosulfonyl)imide(LiFSI)in isoxazole(IZ)with fluorobenzene(FB)as an uncoordinated solvent and fluoroethylene carbonate(FEC)as a filmforming co-solvent.This system effectively lowers the desolvation energy of Li^(+)through dipole-dipole interactions.The weak solvation capability allows more anions to enter the solvation sheath,promoting the formation of contact ion pairs(CIPs)and aggregates(AGGs)that enhance the transport rate of Li^(+)while maintaining high ionic conductivity across a broad temperature range.Moreover,the formation of inorganic-dominant interfacial phases on the graphite anode,induced by fluoroethylene carbonate,significantly enhances the kinetics of Li^(+)transport.At a low temperature of-20℃,this electrolyte system achieves an impressive reversible capacity of 200.9 mAh g^(-1)in graphite half-cell,which is nearly three times that observed with conventional EC-based electrolytes,demonstrating excellent stability throughout its operation.
基金supported by the National Natural Science Foundations of China(Nos.50821063 and 50823004)973 Program(No.2007CB714701)the Fundamental Research Funds for the Central Universities(No.2010XS34)
文摘Based on the train-track coupling dynamics and high-speed train aerodynamics, this paper deals with an improved algorithm for fluid-structure interaction of high-speed trains. In the algorithm, the data communication between fluid solver and structure solver is avoided by inserting the program of train-track coupling dynamics into fluid dynamics program, and the relaxation factor concerning the load boundary of the fluid-structure interface is introduced to improve the fluctuation and convergence of aerodynamic forces. With this method, the fluid-structure dynamics of a highspeed train are simulated under the condition that the velocity of crosswind is 13.8 m/s and the train speed is 350 km/h. When the relaxation factor equals 0.5, the fluctuation of aerodynamic forces is lower and its convergence is faster than in other cases. The side force and lateral displacement of the head train are compared between off-line simulation and co-simulation. Simulation results show that the fluid-structure interaction has a significant influence on the aerodynam- ics and attitude of the head train under crosswind conditions. In addition, the security indexes of the head train worsen after the fluid-structure interaction calculation. Therefore, the fluid-structure interaction calculation is necessary for high-speed trains.
基金Project supported by the National Key R&D Program of China(Grant Nos.2021YFA1400100 and 2024YFA1409700)the National Natural Science Foudation of China(Grant Nos.12374168 and T2325026)。
文摘Spin-orbit interaction(SOI)can be introduced by the proximity effect to modulate the electronic properties of graphene-based heterostructures.In this work,we stack trilayer WSe_(2) on Bernal tetralayer graphene to investigate the influence of SOI on the anomalous Hall effect(AHE).In this structurally asymmetric device,by comparing the magnitude of AHE at positive and negative displacement fields,we find that AHE is strongly enhanced by bringing electrons in proximity to the WSe_(2) layer.Meanwhile,the enhanced AHE signal persists up to 80 K,providing important routes for topological device applications at high temperatures.
基金funded by the National Natural Science Foundation of China (No. 52304133)the National Key R&D Program of China (No. 2022YFC3004605)the Department of Science and Technology of Liaoning Province (No. 2023-BS-083)。
文摘Rockbursts, which mainly affect mining roadways, are dynamic disasters arising from the surrounding rock under high stress. Understanding the interaction between supports and the surrounding rock is necessary for effective rockburst control. In this study, the squeezing behavior of the surrounding rock is analyzed in rockburst roadways, and a mechanical model of rockbursts is established considering the dynamic support stress, thus deriving formulas and providing characteristic curves for describing the interaction between the support and surrounding rock. Design principles and parameters of supports for rockburst control are proposed. The results show that only when the geostress magnitude exceeds a critical value can it drive the formation of rockburst conditions. The main factors influencing the convergence response and rockburst occurrence around roadways are geostress, rock brittleness, uniaxial compressive strength, and roadway excavation size. Roadway support devices can play a role in controlling rockburst by suppressing the squeezing evolution of the surrounding rock towards instability points of rockburst. Further, the higher the strength and the longer the impact stroke of support devices with constant resistance, the more easily multiple balance points can be formed with the surrounding rock to control rockburst occurrence. Supports with long impact stroke allow adaptation to varying geostress levels around the roadway, aiding in rockburst control. The results offer a quantitative method for designing support systems for rockburst-prone roadways. The design criterion of supports is determined by the intersection between the convergence curve of the surrounding rock and the squeezing deformation curve of the support devices.
文摘Covalent organic framework nanosheets(CONs)with porous crystalline features and ultrathin thickness are ideal candidates as membrane building blocks to form well-defined transfer nanochannels.The formidable challenge behind self-supporting CONs membrane lies in weak noncovalent interlayer interactions and thus loose stacking,insufficient strength and structure stabilities.Herein,we propose the fabrication of interlayer force-strengthened freestanding CONs membrane through the electrostatic attraction bridge effect of positively-charged amino-rich CONs(CON-NH2)to negatively-charged sulfonated CONs(CON-SO_(3)H).Ultrathin and large lateral sized CON-SO_(3)H and CON-NH2 are synthesized,followed by restacking to prepare freestanding CONs membrane with CON-SO_(3)H as the membrane bulk.Benefiting from effective interlayer interconnection due to strong electrostatic interaction,the obtained CON-SO_(3)H/CON-NH2 membrane displays features of ultrahigh integrity,dense stacking,eminent water/acid/base/organic solvents stabilities and mechanical strength(109 MPa).The shortened-SO_(3)H distance contributes to construct site-continuous transfer pathways,and the deprotonated-SO_(3)H and protonated-NH2 form acid-base pairs to decrease interfacial resistance,which impart membrane superior proton conductivity of 486 mS cm^(-1)(80℃,100%RH).This interlayer force enhancement strategy offers a promising perspective on achieving densely-stacked CONs membrane with ultrahigh mechanical property and conduction performance for fuel cell application.
基金supported by the National Natural Science Foundation of China(Grant No.52304003)the Natural Science Foundation of Sichuan Province(Grant No.2024NSFSC0961)the Postdoctoral Fellowship Program of CPSF(Grant No.GZB20230090).
文摘The glutenite reservoir is strongly heterogeneous due to the random distribution of gravels, making it challenging to perform hydraulic fracturing effectively. To solve this issue, it is essential to study interaction behavior between hydraulic fractures(HFs) and gravels. A coupled hydro-mechanical model is proposed for HF propagation in glutenite using a grain-based discrete element method. This paper first investigates the dynamic evolution of HFs in glutenite, then analyzes the influences of various factors such as horizontal stress difference(Δσ), minimum horizontal stress(σh), gravel content(Vg), gravel size(dg), and stiffness ratio of gravel to matrix(Rs) on HF propagation geometries. Results show that penetrating the gravel is the primary HF-gravel interaction behavior, which follows sequential and staggered initiation modes. Bypassing the gravel is the secondary behavior, which obeys the sequential initiation mode and occurs when the orientation of the gravel boundary is inclined to the maximum horizontal stress(σH). An offset along the gravel boundary is usually formed while penetrating gravels, and the offsets may cause fracture widths to decrease by 37.8%-84.4%. Even if stress dominates the direction of HF propagation, HFs still tend to deflect within gravels. The deviation angle from σH decreases with rising Δσand increases with the increase of dgand Rs. Additionally, intra-gravel shear HFs(IGS-HFs) are prone to be generated in coarse-grained glutenite under high Δσ, while more gravel-bypassing shear HFs(GBSHFs) tend to be created in argillaceous glutenite with high Rsthan in sandy glutenite with low Rs. The findings above prompt the emergence of a novel HF propagation pattern in glutenite, which helps to understand the real HF geometries and to provide theoretical guidance for treatments in the field.
基金supported by the National Key Research and Development Program(2019YFA0705701)National Natural Science Foundation of China(22075329,22008267,21978332 and 22179149)+1 种基金Research and Development Project of Henan Academy Sciences China(232018002)Guangdong Basic and Applied Basic Research Foundation(2021A1515010731)。
文摘One effective approach to strike the balance between ionic conductivity and mechanical strength in polymer electrolytes involves the design of a coupled polymer molecular structure comprising both rigid and flexible phases.Nevertheless,the regulation of intermolecular interactions between plasticizers and rigid and flexible phases has been largely overlooked.Here,an intermolecular interaction engineering strategy is carried out with well-chosen dual-plasticize within qua si-sol id-state polymer electrolytes(QSPEs).Succinonitrile exhibits a stronger affinity towards rigid phase hydrogenated nitrile butadiene rubber(HNBR),while propene carbonate demonstrates a stronger affinity towards flexible segments poly(propylene carbonate)(PPC).This tailored intermolecular interaction engineering allows for differential plasticization of the polymer's rigid and flexible phases,thereby achieving a balance between ionic conductivity and mechanical strength.The QSPE have both higher ionic conductivity(1.04×10^(-4)S cm^(-1)at 30℃),t_(Li+)(0.55),and tensile strength(0.76 MPa).Li//Li symmetric cells maintaining performance over1100 h at 0.1 mA cm^(-2)and Li//LiFePO_(4)cells retaining 85.0%capacity after 700 cycles at 1.0 C.It is a unique angle to employ intermolecular interaction engineering in QSPEs through dual-plasticizer approach combined with CO_(2)-based polymer materials.This sustainable strategy combining dual-plasticizer engineering with CO_(2)-based polymers,offers insights for designing high-performance,eco-friendly lithium metal batteries.
文摘In this paper, an investigation into the propagation of far field explosion waves in water and their effects on nearby structures are carried out. For the far field structure, the motion of the fluid surrounding the structure may be assumed small, allowing linearization of the governing fluid equations. A complete analysis of the problem must involve simultaneous solution of the dynamic response of the structure and the propagation of explosion wave in the surrounding fluid. In this study, a dynamic adaptive finite element procedure is proposed. Its application to the solution of a 2D fluid-structure interaction is investigated in the time domain. The research includes：a） calculation of the far-field scatter wave due to underwater explosion including solution of the time-depended acoustic wave equation, b） fluid-structure interaction analysis using coupled Euler-Lagrangian approach, and c） adaptive finite element procedures employing error estimates, and re-meshing. The temporal mesh adaptation is achieved by local regeneration of the grid using a time-dependent error indicator based on curvature of pressure function. As a result, the overall response is better predicted by a moving mesh than an equivalent uniform mesh. In addition, the cost of computation for large problems is reduced while the accuracy is improved.
文摘The article discusses the use of pulse-width modulation signals to generate low-temperature atmospheric plasma in an inert gas environment.The results of studies of the energy consumption of a low-temperature plasma generation system depending on the duty rate,as well as the pulse repetition rate,are presented.The operating modes of the system have been established,in which a minimum of energy consumption is achieved.The issues of evaluating the interaction of plasma with objects based on the analysis of changes in signal parameters in the high-voltage circuit of the generator are also considered.
基金the National Natural Science Foundation Outstanding Youth Foundation (Grant No.52122603)the National Science and Technology Major Project (J2019-Ⅲ-0003–0046)。
文摘Clarifying the gas ingestion mechanism in the turbine disc cavity of marine gas turbines is crucial for ensuring the normal operation of turbines.However, the ingestion is influenced by factors such as the rotational pumping effect, mainstream pressure asymmetry, rotor–stator interaction,and unsteady flow structures, complicating the flow. To investigate the impact of rotor–stator interaction on ingestion, this paper decouples the model to include only the mainstream. This research employs experiments and numerical simulations to examine the effects of varying the flow coefficient through changes in rotational speed and mainstream flow rate. The main objective is to understand the influence of different rotor–stator interactions on the mainstream pressure field, accompanied by mechanistic explanations. The findings reveal inconsistent effects of the two methods for changing the flow coefficient on the mainstream pressure field. Particularly, the pressure distribution on the vane side primarily depends on the mainstream flow rate, while the pressure on the blade side is influenced by the mainstream flow rate and the attack angle represented by the flow coefficient. A larger angle of attack angle can increase pressure on the blade side, even surpassing the pressure on the vane side. Assessing the degree of mainstream pressure unevenness solely based on the pressure difference on the vane side is insufficient. This research provides a basis for subsequent studies on the influence of coupled real turbine rotor–stator interaction on gas ingestion.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 12222506, 12347102, 12447164, and 12174184)。
文摘Accurately estimating protein–ligand binding free energy is crucial for drug design and biophysics, yet remains a challenging task. In this study, we applied the screening molecular mechanics/Poisson–Boltzmann surface area(MM/PBSA)method in combination with various machine learning techniques to compute the binding free energies of protein–ligand interactions. Our results demonstrate that machine learning outperforms direct screening MM/PBSA calculations in predicting protein–ligand binding free energies. Notably, the random forest(RF) method exhibited the best predictive performance,with a Pearson correlation coefficient(rp) of 0.702 and a mean absolute error(MAE) of 1.379 kcal/mol. Furthermore, we analyzed feature importance rankings in the gradient boosting(GB), adaptive boosting(Ada Boost), and RF methods, and found that feature selection significantly impacted predictive performance. In particular, molecular weight(MW) and van der Waals(VDW) energies played a decisive role in the prediction. Overall, this study highlights the potential of combining machine learning methods with screening MM/PBSA for accurately predicting binding free energies in biosystems.
文摘A computational procedure is developed to solve the problems of coupled motion of a structure and a viscous incompressible fluid. In order to incorporate the effect of the moving surface of the structure as well as the free surface motion, the arbitrary Lagrangian-Eulerian formulation is employed as the basis of the finite element spatial discretization. For numerical integration in time, the fraction,step method is used. This method is useful because one can use the same linear interpolation function for both velocity and pressure. The method is applied to the nonlinear interaction of a structure and a tuned liquid damper. All computations are performed with a personal computer.
基金supported by the Independent Innovation Science Fund of National University of Defense Technology(No.24-ZZCX-BC-05)National Natural Science Foundation of China(Nos.92271110 and 12202488)+2 种基金the Major National Science and Technology Project(No.J2019-Ⅲ0010-0054)the National Postdoctoral Researcher Program of China(No.GZB20230985)the Natural Science Program of National University of Defense Technology(No.ZK22-30)。
文摘The phenomenon of shock/shock interaction(SSI)is widely observed in high-speed flow,and the double wedge SSI represents one of the typical problems encountered.The control effect of single-pulse plasma synthetic jet(PSJ)on double wedge type-Ⅵand type-ⅤSSI was investigated experimentally and numerically,and the influence of discharge energy was also explored.The findings indicate that the interaction between PSJ and the high-speed freestream results in the formation of a plasma layer and a jet shock,which collectively governs the control of SSI.The control mechanism of single-pulse PSJ on SSI lies in its capacity to attenuate both shock and SSI.For type-ⅥSSI,the original second-wedge oblique shock is eliminated under the control of PSJ,resulting in a new type-ⅥSSI formed by the jet shock and the first-wedge oblique shock.For type-ⅤSSI,the presence of PSJ effectively mitigates the intensity of Mach stem,supersonic jet,and reflected shocks,thereby facilitating its transition into type-ⅥSSI.The numerical results indicate that the peak pressure can be reduced by approximately 32.26%at maximum.Furthermore,the development of PSJ also extends in the Z direction.The pressure decreases in the area affected by both PSJ and jet shock due to the attenuation of the SSI zone.With increasing discharge energy,the control effect of PSJ on SSI is gradually enhanced.
文摘In this paper, we report our study on a numerical fluid-structure interaction problem originally presented by Mok et al.(2001) in two dimensions and later studied in three dimensions by Valdés Vazquez(2007), Lombardi(2012), and Trimarchi(2012). We focus on a 3D test case in which we evaluated the sensitivity of several input parameters on the fluid and structural results. In particular, this analysis provides a starting point from which we can look deeper into specific aspects of these simulations and analyze more realistic cases, e.g., in sails design. In this study, using the commercial software ADINATM, we addressed a well-known unsteadiness problem comprising a square box representing the fluid domain with a flexible bottom modeled with structural shell elements. We compared data from previously published work whose authors used the same numerical approach, i.e., a partitioned approach coupling a finite volume solver(for the fluid domain) and a finite element solver(for the solid domain). Specifically, we established several benchmarks and made comparisons with respect to fluid and solid meshes, structural element types, and structural damping, as well as solution algorithms. Moreover, we compared our method with a monolithic finite element solution method. Our comparisons of new and old results provide an outline of best practices for such simulations.
文摘In order to simulate and analyze the dynamic characteristics of the parachute from advanced tactical parachute system(ATPS),a nonlinear finite element algorithm and a preconditioning finite volume method are employed and developed to construct three dimensional parachute fluid-structure interaction(FSI)model.Parachute fabric material is represented by membrane-cable elements,and geometrical nonlinear algorithm is employed with wrinkling technique embedded to simulate the large deformations of parachute structure by applying the NewtonRaphson iteration method.On the other hand,the time-dependent flow surrounding parachute canopy is simulated using preconditioned lower-upper symmetric Gauss-Seidel(LU-SGS)method.The pseudo solid dynamic mesh algorithm is employed to update the flow-field mesh based on the complex and arbitrary motion of parachute canopy.Due to the large amount of computation during the FSI simulation,massage passing interface(MPI)parallel computation technique is used for all those three modules to improve the performance of the FSI code.The FSI method is tested to simulate one kind of ATPS parachutes to predict the parachute configuration and anticipate the parachute descent speeds.The comparison of results between the proposed method and those in literatures demonstrates the method to be a useful tool for parachute designers.
