Hydrogen peroxide(H_(2)O_(2))oxidation and reduction reactions(HPOR/HPRR)are pivotal in various innovative electrochemical energy conversion devices.A comprehensive understanding of these mechanisms is critical for ca...Hydrogen peroxide(H_(2)O_(2))oxidation and reduction reactions(HPOR/HPRR)are pivotal in various innovative electrochemical energy conversion devices.A comprehensive understanding of these mechanisms is critical for catalyst design and performance improvement in these applications.In this work,we systematically investigate the HPOR/HPRR mechanisms on low-index Pt surfaces,specifically Pt(111),Pt(100)and Pt(110),through density functional theory(DFT)calculations combined with the computational hydrogen electrode(CHE)model.For HPOR,all the low-index Pt surfaces exhibit a unified potential-determining step(PDS)involving the electrochemical oxidation of hydroperoxyl intermediates(HOO*).The binding free energy of HOO*(Δ_(GHOO*))emerges as an activity descriptor,with Pt(110)exhibiting the highest HPOR activity.The HPRR mechanism follows a chem-electrochemical(C-EC)pathway.The rate-determining step(RDS)of HPRR is either the cleavage of the HO-OH bond(chemical)or the reduction of HO(electrochemical),depending on their respective activation energies.These activation energies are functions of the HO*binding free energy,Δ_(GHO*),establishingΔ_(GHO*)as the descriptor for HPRR activity prediction.Pt(111)and Pt(100)are identified as the most active HPRR catalysts among the studied metal surfaces,although they still experience a significant overpotential.The scaling relationship betweenΔ_(GHOO*)andΔ_(GHO*)reveals a thermodynamic coupling of HPOR and HPRR,explaining their occurrence on Pt surfaces.These findings provide important insights and activity descriptors for both HPOR and HPRR,providing valuable guidance for the design of electrocatalysts in H_(2)O_(2)-related energy applications and fuel cells.展开更多
Dear Editor,As the Internet of things(IoT)and autonomous driving continue to evolve,positioning technology faces increasing demands for higher accuracy and reliability.Traditional positioning methods often struggle in...Dear Editor,As the Internet of things(IoT)and autonomous driving continue to evolve,positioning technology faces increasing demands for higher accuracy and reliability.Traditional positioning methods often struggle in complex signal environments with multipath interference and non-line-of-sight(NLOS)conditions.Reconfigurable intelligent surfaces(RIS),an innovative technology that can flexibly control signal propagation,offer new possibilities for positioning systems.展开更多
As a mathematical analysis method,fractal analysis can be used to quantitatively describe irregular shapes with self-similar or self-affine properties.Fractal analysis has been used to characterize the shapes of metal...As a mathematical analysis method,fractal analysis can be used to quantitatively describe irregular shapes with self-similar or self-affine properties.Fractal analysis has been used to characterize the shapes of metal materials at various scales and dimensions.Conventional methods make it difficult to quantitatively describe the relationship between the regular characteristics and properties of metal material surfaces and interfaces.However,fractal analysis can be used to quantitatively describe the shape characteristics of metal materials and to establish the quantitative relationships between the shape characteristics and various properties of metal materials.From the perspective of two-dimensional planes and three-dimensional curved surfaces,this paper reviews the current research status of the fractal analysis of metal precipitate interfaces,metal grain boundary interfaces,metal-deposited film surfaces,metal fracture surfaces,metal machined surfaces,and metal wear surfaces.The relationship between the fractal dimensions and properties of metal material surfaces and interfaces is summarized.Starting from three perspectives of fractal analysis,namely,research scope,image acquisition methods,and calculation methods,this paper identifies the direction of research on fractal analysis of metal material surfaces and interfaces that need to be developed.It is believed that revealing the deep influence mechanism between the fractal dimensions and properties of metal material surfaces and interfaces will be the key research direction of the fractal analysis of metal materials in the future.展开更多
On-demand droplet manipulation plays a critical role in microfluidics,bio/chemical detection and microreactions.Acoustic droplet manipulation has emerged as a promising technique due to its non-contact nature,biocompa...On-demand droplet manipulation plays a critical role in microfluidics,bio/chemical detection and microreactions.Acoustic droplet manipulation has emerged as a promising technique due to its non-contact nature,biocompatibility and precision,circumventing the complexities associated with other methods requiring surface or droplet pretreatment.Despite their promise,existing methods for acoustic droplet manipulation often involve complex hardware setups and difficulty for controlling individual droplet amidst multiple ones.Here we fabricate simple yet effective acoustic tweezers for in-surface and out-of-surface droplet manipulation.It is found that droplets can be transported on the superhydrophobic surfaces when the acoustic radiation force surpasses the friction force.Using a two-axis acoustic tweezer,droplets can be maneuvered along arbitrarily programmed paths on the surfaces.By introducing multiple labyrinthine structures on the superhydrophobic surface,individual droplet manipulation is realized by constraining the unselected droplets in the labyrinthine structures.In addition,a three-axis acoustic tweezer is developed for manipulating droplets in three-dimensional space.Potential applications of the acoustic tweezers for micro-reaction,bio-assay and chemical analysis are also demonstrated.展开更多
Toric patch is a kind of rational multisided patch,which is associated with a finite integer lattice points set A.A set of weights is defined which depend on a parameter according to regular decomposition of A.When al...Toric patch is a kind of rational multisided patch,which is associated with a finite integer lattice points set A.A set of weights is defined which depend on a parameter according to regular decomposition of A.When all weights of the patch tend to infinity,we obtain the limiting form of toric patch which is called its regular control surface.The diferent weights may induce the diferent regular control surfaces of the same toric patch.It prompts us to consider that how many regular control surfaces of a toric patch.In this paper,we study the regular decompositions of A by using integer programming method firstly,and then provide the relationship between all regular decompositions of A and corresponding state polytope.Moreover,we present that the number of regular control surfaces of a toric patch associated with A is equal to the number of regular decompositions of A.An algorithm to calculate the number of regular control surfaces of toric patch is provided.The algorithm also presents a method to construct all of the regular control surfaces of a toric patch.At last,the application of proposed result in shape deformation is demonstrated by several examples.展开更多
On-machine measurement(OMM)stands out as a pivotal technology in complex curved surface adaptive machining.However,the complex structure inherent in workpieces poses a significant challenge as the stylus orientation f...On-machine measurement(OMM)stands out as a pivotal technology in complex curved surface adaptive machining.However,the complex structure inherent in workpieces poses a significant challenge as the stylus orientation frequently shifts during the measurement process.Consequently,a substantial amount of time is allocated to calibrating pre-travel error and probe movement.Furthermore,the frequent movement of machine tools also increases the influence of machine errors.To enhance both accuracy and efficiency,an optimization strategy for the OMM process is proposed.Based on the kinematic chain of the machine tools,the relationship between the angle combination of rotary axes,the stylus orientation,and the calibration position of pre-travel error is disclosed.Additionally,an OMM efficiency optimization model for complex curved surfaces is developed.This model is solved to produce the optimal efficiency angle combinations for each to-be-measured point.Within each angle combination,the effects of positioning errors on measurement results are addressed by coordinate system offset and measurement result compensation method.Finally,the experiments on an impeller are used to demonstrate the practical utility of the proposed method.展开更多
Bimetallic surfaces play a pivotal role in heterogeneous catalysis,yet their theoretical modeling has long been hindered by the computational chal-lenges of capturing configurational disorder,a critical feature govern...Bimetallic surfaces play a pivotal role in heterogeneous catalysis,yet their theoretical modeling has long been hindered by the computational chal-lenges of capturing configurational disorder,a critical feature governing their catalytic properties.Tradition-al approaches rely on oversimplified ordered surface models or restrict dis-order to a few atomic layers,limiting their predictive power.Here,we Cu_(1-x)Zn_(x)Cu_(1-x)Zn_(x)present an accurate and efficient computational framework that integrates machine learning force fields(MLFFs)with the cluster expansion(CE)method to study configurationally dis-ordered bimetallic surfaces at finite temperatures.We have developed an efficient workflow in which the MLFF is first trained iteratively via an active learning protocol,and then used to generate accurate energetic data for thousands of configurations that enable robust CE model construction.By treating bulk and surface clusters separately,we can build CE models for surface slabs with an arbitrary number of layers.Using as a case study,our CE-based Monte Carlo simulations reveal key structural insights that are relevant to the under-standing of catalytic properties of surfaces.This work demonstrates how MLFF-aided CE can overcome traditional limitations in theoretical modeling of bimetallic surfaces and highlights pathways toward more realistic modeling of heterogeneous catalysts.展开更多
In this paper,an incremental contact model is developed for the elastic self-affine fractal rough surfaces under plane strain condition.The contact between a rough surface and a rigid plane is simplified by the accumu...In this paper,an incremental contact model is developed for the elastic self-affine fractal rough surfaces under plane strain condition.The contact between a rough surface and a rigid plane is simplified by the accumulation of identical line contacts with half-width given by the truncated area divided by the contact patch number at varying heights.Based on the contact stiffness of two-dimensional flat punch,the total stiffness of rough surface is estimated,and then the normal load is calculated by an incremental method.For various rough surfaces,the approximately linear load-area relationships predicted by the proposed model agree well with the results of finite element simulations.It is found that the real average contact pressure depends significantly on profile properties.展开更多
To address the challenges associated with multi-sided shells in traditional isogeometric analysis(IGA),this paper introduces a novel isogeometric shell method for trimmed CAD geometries based on toric surfaces and Rei...To address the challenges associated with multi-sided shells in traditional isogeometric analysis(IGA),this paper introduces a novel isogeometric shell method for trimmed CAD geometries based on toric surfaces and Reissner–Mindlin shell theory.By utilizing toric surface patches,both trimmed and untrimmed elements of the CAD surfaces are represented through a unified geometric framework,ensuring continuity and an accurate geometric description.Toric-Bernstein basis functions are employed to accurately interpolate the geometry and displacement of the trimmed shell.For singularities and corner points on the toric surface,the normal vector is defined as the unit directional vector from the center of curvature to the corresponding control point.Several numerical examples of polygonal shells are presented to evaluate the effectiveness and robustness of the proposed method.This approach significantly simplifies the treatment of trimmed shell IGA and provides a promising solution for simulating complex shell structures with intricate boundaries.展开更多
Understanding frictional anisotropy,which refers to the variation in frictional resistance based on the shear direction,is crucial for optimizing the friction angle between a bio-inspired structure and the surrounding...Understanding frictional anisotropy,which refers to the variation in frictional resistance based on the shear direction,is crucial for optimizing the friction angle between a bio-inspired structure and the surrounding soil.Previous studies focused on estimating the interface frictional anisotropy mobilized by snakeskin-inspired textured surfaces and sand under monotonic shear loading conditions.However,there is a need to estimate interface frictional anisotropy under repetitive shear loads.In this study,a series of repetitive direct shear(DS)tests are performed with snakeskin-inspired textured surfaces under a constant vertical stress and two shear directions(cranial first half→caudal second half or caudal first half→cranial second half).The results show that(1)mobilized shear stress increases with the number of shearing cycles,(2)cranial shearing(shearing against the scales)consistently produces a higher shear resistance and less contractive behavior than caudal shearing(shearing along the scales),and(3)a higher scale height or smaller scale length of the surface yields a higher interface friction angle across all shearing cycles.Further analysis reveals that the gap between the cranial and caudal shear zones of the interface friction angle as a function of L/H(i.e.the ratio of scale length L to scale height H)continues to decrease as the number of shearing cycles approaches asymptotic values.The directional frictional resistance(DFR)decreases as the number of shearing cycles increases.Furthermore,the discussion covers the impact of initial relative density,vertical stress,and the number of shearing cycles on interface frictional anisotropy.展开更多
As one of the lightest engineering materials,magnesium(Mg)alloy possesses excellent mechanical performance,meeting the needs of versatile engineering fields and holding the potential to address cutting-edge issues in ...As one of the lightest engineering materials,magnesium(Mg)alloy possesses excellent mechanical performance,meeting the needs of versatile engineering fields and holding the potential to address cutting-edge issues in aerospace,electronics,biomedicine.The design of superhydrophobic(SHB)surfaces with micro and nanostructures can endow Mg alloys with multiple functionalities,such as self-cleaning,self-healing,antibacterial,and corrosion resistance.Over the past decade,researchers have drawn inspiration from nature to implement biomimetic design principles,resulting in the rapid development of micro/nanostructured SHB surfaces on Mg alloys,which hold great promise for biomedical applications.This review comprehensively introduces the biomimetic design principles of micro/nanostructured SHB surfaces on Mg alloys,discusses the challenges along with advantages and disadvantages of current preparation methods,and explores the future perspectives for preparing these SHB surfaces,providing strategies to enhance their performance in biomedical applications.展开更多
In recent decades,capacitive pressure sensors(CPSs)with high sensitivity have demonstrated significant potential in applications such as medical monitoring,artificial intelligence,and soft robotics.Efforts to enhance ...In recent decades,capacitive pressure sensors(CPSs)with high sensitivity have demonstrated significant potential in applications such as medical monitoring,artificial intelligence,and soft robotics.Efforts to enhance this sensitivity have predominantly focused on material design and structural optimization,with surface microstructures such as wrinkles,pyramids,and micro-pillars proving effective.Although finite element modeling(FEM)has guided enhancements in CPS sensitivity across various surface designs,a theoretical understanding of sensitivity improvements remains underexplored.This paper employs sinusoidal wavy surfaces as a representative model to analytically elucidate the underlying mechanisms of sensitivity enhancement through contact mechanics.These theoretical insights are corroborated by FEM and experimental validations.Our findings underscore that optimizing material properties,such as Young’s modulus and relative permittivity,alongside adjustments in surface roughness and substrate thickness,can significantly elevate the sensitivity.The optimal performance is achieved when the amplitude-to-wavelength ratio(H/)is about 0.2.These results offer critical insights for designing ultrasensitive CPS devices,paving the way for advancements in sensor technology.展开更多
The contact problem of deformed rough surfaces exists widely in complex engineering structures.How to reveal the influence mechanism of surface deformation on the contact properties is a key issue in evaluating the in...The contact problem of deformed rough surfaces exists widely in complex engineering structures.How to reveal the influence mechanism of surface deformation on the contact properties is a key issue in evaluating the interface performances of the engineering structures.In this paper,a contact model is established,which is suitable for tensile and bending deformed contact surfaces.Four contact forms of asperities are proposed,and their distribution characteristics are analyzed.This model reveals the mechanism of friction generation from the perspective of the force balance of asperity.The results show the contact behaviors of the deformed contact surface are significantly different from that of the plane contact,which is mainly reflected in the change in the number of contact asperities and the real contact area.This study suggests that the real contact area of the interface can be altered by applying tensile and bending strains,thereby regulating its contact mechanics and conductive behavior.展开更多
The problem of finished surface being not first-order continuous commonly exists in machining sculptured surfaces with a torus cutter and some other types of cutters. To solve this problem, a dual drive curve tool pat...The problem of finished surface being not first-order continuous commonly exists in machining sculptured surfaces with a torus cutter and some other types of cutters. To solve this problem, a dual drive curve tool path planning method is proposed in this article. First, the maximum machining strip width of a whole tool path can be obtained through optimizing each tool position with multi-point machining （MPM） method. Second, two drive curves are then determined according to the obtained maximum machining strip width. Finally, the tool is positioned once more along the dual drive curve under the condition of tool path smoothness. A computer simulation and cutting experiments are carried out to testify the performance of the new method. The machined surface is measured with a coordinate measuring machine （CMM） to examine the machining quality. The results obtained show that this method can effectively eliminate sharp scallops between adjacent tool paths, keep tool paths smooth, and improve the surface machining quality as well as machining efficiency.展开更多
We deal with the properties of incompressible and pairwise incompressible surfaces in knot complements through the application of relevant properties of almost simple topological graphs.We analyze the topological grap...We deal with the properties of incompressible and pairwise incompressible surfaces in knot complements through the application of relevant properties of almost simple topological graphs.We analyze the topological graph invariants associated with surfaces embedded in the complements of alternating and almost alternating knots.Specifically,we prove that the characteristic numbers of these graphs remain invariant under two fundamental transformations(R-move and S^(2)-move).Leveraging the interplay between characteristic numbers and Euler characteristics,and further connecting Euler characteristics to surface genus,we derive novel results regarding the genus of incompressible pairwise incompressible surfaces.Additionally,we establish a discriminant criterion to determine when such surfaces in knot complements admit genus zero.展开更多
In recent years,the study of chalcopyrite and pyrite flotation surfaces using computational chemistry methods has made significant progress.However,current computational methods are limited by the small size of their ...In recent years,the study of chalcopyrite and pyrite flotation surfaces using computational chemistry methods has made significant progress.However,current computational methods are limited by the small size of their systems and insufficient consideration of hydration and temperature effects,making it difficult to fully replicate the real flotation environment of chalcopyrite and pyrite.In this study,we employed the self-consistent charge density functional tight-binding(SCC-DFTB)parameterization method to develop a parameter set,CuFeOrg,which includes the interactions between Cu-Fe-C-H-O-N-S-P-Zn elements,to investigate the surface interactions in large-scale flotation systems of chalcopyrite and pyrite.The results of bulk modulus,atomic displacement,band structure,surface relaxation,surface Mulliken charge distribution,and adsorption tests of typical flotation reagents on mineral surfaces demonstrate that CuFeOrg achieves DFT-level accuracy while significantly outperforming DFT in computational efficiency.By constructing large-scale hydration systems of mineral surfaces,as well as large-scale systems incorporating the combined interactions of mineral surfaces,flotation reagents,and hydration,we more realistically reproduce the actual flotation environment.Furthermore,the dynamic analysis results are consistent with mineral surface contact angle experiments.Additionally,CuFeOrg lays the foundation for future studies of more complex and diverse chalcopyrite and pyrite flotation surface systems.展开更多
Functional materials synthesized from bio-based building blocks are fascinating and challenging in the fields of chemistry and materials science.Herein,we present a versatile strategy for synthesizing bio-based stimul...Functional materials synthesized from bio-based building blocks are fascinating and challenging in the fields of chemistry and materials science.Herein,we present a versatile strategy for synthesizing bio-based stimulus-responsive polymers derived from itaconic acid(IA).Bearing an azobenzene-containing side chain,the IA-based epoxy polymer exhibited both photoresponsiveness and acid/base-stimulus responsiveness.With controllable manipulation of the stress field of the wrinkling IA-polymer film via the stress relaxation effect resulting from the reversible cis-trans isomerization of the azobenzene moieties or solvent-induced swelling of the film,various tailor-made patterned wrinkling surfaces were conveniently fabricated.More importantly,the azobenzene protonation/deprotonation yields a reversible visual color transformation between pale yellow and purple in the film,which allows these IA-based polymer-coated surfaces to be utilized as rewritable information storage media.Various elegant pattern information can be acid-printed and base-erased(within 10 s)for multiple cycles and legible for over one day under laboratory conditions.Notably,the aforementioned dual-stimulus responsiveness of the IA-based polymer film enables its surface to be applied in information encryption.This study not only paves a new avenue for the convenient fabrication of stimulus-responsive surfaces but also sheds light on the development of functional polymers through green engineering.展开更多
The adsorption properties of a magnesium porphyrin(MgP)molecule on Au(111)surface covered with up to three lay-ers of sodium chloride(NaCl)were investigated by means of first-principles calculations.The most stable ad...The adsorption properties of a magnesium porphyrin(MgP)molecule on Au(111)surface covered with up to three lay-ers of sodium chloride(NaCl)were investigated by means of first-principles calculations.The most stable adsorption configuration of MgP on the NaCl/Au(111)heterosurfaces was found to be at the Cl-top site with a 20°angle between the[110]lattice direction of NaCl and the Mg–N bond of the molecule.Compared with MgP molecule adsorbed on bare Au(111),the inclusion of NaCl lay-ers can lead to a significant decrease in the adsorption energy of the MgP molecule.The exis-tence of NaCl layers also reduced the charge transfer between the molecule and the surface.For heterosurfaces with two or three monolayers of NaCl,the charge transfer was almost com-pletely suppressed.The obtained partial density of states(PDOS)showed that hybridization between the electronic structures of the adsorbed MgP molecule and the metal surface can be significantly suppressed when NaCl layers were added.For the heterosurface with three lay-ers of NaCl,the PDOS around the Fermi level was almost identical with that of the free molecule,suggesting the electronic structure of the MgP molecule was nicely preserved.Influ-ence of the NaCl layers on the electronic structure of the MgP molecule was mainly found for molecular orbitals(MOs)away from the Fermi level as a result of the large band gap of the NaCl layers.展开更多
In this paper,we construct an efficient decoupling-type strategy for solving the Allen-Cahn equation on curved surfaces.It is based on an FEM-EIEQ(Finite Element Method and explicit-Invariant Energy Quadratization)ful...In this paper,we construct an efficient decoupling-type strategy for solving the Allen-Cahn equation on curved surfaces.It is based on an FEM-EIEQ(Finite Element Method and explicit-Invariant Energy Quadratization)fully discrete scheme with unconditional energy stability.Spatially the FEM is adopted,using a triangular mesh discretization strategy that can be adapted to complex regions.Temporally,the EIEQ approach is considered,which not only linearizes the nonlinear potential but also gives a new variable that we combine with the nonlocal splitting method to achieve the fully decoupled computation.The strategy can successfully transform the Allen-Cahn system into some completely independent algebraic equations and linear elliptic equations with constant coefficients,we only need to solve these simple equations at each time step.Moreover,we conducted some numerical experiments to demonstrate the effectiveness of the strategy.展开更多
On-chip devices for generating pre-designed vectorial optical fields(VOFs)under surface wave(SW)excitations are highly desired in integrated photonics.However,conventional devices are usually of large footprints,low e...On-chip devices for generating pre-designed vectorial optical fields(VOFs)under surface wave(SW)excitations are highly desired in integrated photonics.However,conventional devices are usually of large footprints,low efficiencies,and limited wave-control capabilities.Here,we present a generic approach to design ultra-compact on-chip devices that can efficiently generate pre-designed VOFs under SW excitations,and experimentally verify the concept in terahertz(THz)regime.We first describe how to design SW-excitation metasurfaces for generating circularly polarized complex beams,and experimentally demonstrate two meta-devices to realize directional emission and focusing of THz waves with oppo-site circular polarizations,respectively.We then establish a systematic approach to construct an integrated device via merging two carefully designed metasurfaces,which,under SW excitations,can separately produce pre-designed far-field patterns with different circular polarizations and generate target VOF based on their interference.As a proof of con-cept,we demonstrate experimentally a meta-device that can generate a radially polarized Bessel beam under SW excita-tion at~0.4 THz.Experimental results agree well with full-wave simulations,collectively verifying the performance of our device.Our study paves the road to realizing highly integrated on-chip functional THz devices,which may find many ap-plications in biological sensing,communications,displays,image multiplexing,and beyond.展开更多
基金Supported by the Shanxi Province Grant(202203021212007,2023SHB003).
文摘Hydrogen peroxide(H_(2)O_(2))oxidation and reduction reactions(HPOR/HPRR)are pivotal in various innovative electrochemical energy conversion devices.A comprehensive understanding of these mechanisms is critical for catalyst design and performance improvement in these applications.In this work,we systematically investigate the HPOR/HPRR mechanisms on low-index Pt surfaces,specifically Pt(111),Pt(100)and Pt(110),through density functional theory(DFT)calculations combined with the computational hydrogen electrode(CHE)model.For HPOR,all the low-index Pt surfaces exhibit a unified potential-determining step(PDS)involving the electrochemical oxidation of hydroperoxyl intermediates(HOO*).The binding free energy of HOO*(Δ_(GHOO*))emerges as an activity descriptor,with Pt(110)exhibiting the highest HPOR activity.The HPRR mechanism follows a chem-electrochemical(C-EC)pathway.The rate-determining step(RDS)of HPRR is either the cleavage of the HO-OH bond(chemical)or the reduction of HO(electrochemical),depending on their respective activation energies.These activation energies are functions of the HO*binding free energy,Δ_(GHO*),establishingΔ_(GHO*)as the descriptor for HPRR activity prediction.Pt(111)and Pt(100)are identified as the most active HPRR catalysts among the studied metal surfaces,although they still experience a significant overpotential.The scaling relationship betweenΔ_(GHOO*)andΔ_(GHO*)reveals a thermodynamic coupling of HPOR and HPRR,explaining their occurrence on Pt surfaces.These findings provide important insights and activity descriptors for both HPOR and HPRR,providing valuable guidance for the design of electrocatalysts in H_(2)O_(2)-related energy applications and fuel cells.
基金supported by the Open Fund Project of Key Laboratory of Ocean Observation Technology,MNR(2023klootA01).
文摘Dear Editor,As the Internet of things(IoT)and autonomous driving continue to evolve,positioning technology faces increasing demands for higher accuracy and reliability.Traditional positioning methods often struggle in complex signal environments with multipath interference and non-line-of-sight(NLOS)conditions.Reconfigurable intelligent surfaces(RIS),an innovative technology that can flexibly control signal propagation,offer new possibilities for positioning systems.
基金financially supported by the National Key R&D Program of China(No.2022YFE0121300)the National Natural Science Foundation of China(No.52374376)the Introduction Plan for High-end Foreign Experts(No.G2023105001L)。
文摘As a mathematical analysis method,fractal analysis can be used to quantitatively describe irregular shapes with self-similar or self-affine properties.Fractal analysis has been used to characterize the shapes of metal materials at various scales and dimensions.Conventional methods make it difficult to quantitatively describe the relationship between the regular characteristics and properties of metal material surfaces and interfaces.However,fractal analysis can be used to quantitatively describe the shape characteristics of metal materials and to establish the quantitative relationships between the shape characteristics and various properties of metal materials.From the perspective of two-dimensional planes and three-dimensional curved surfaces,this paper reviews the current research status of the fractal analysis of metal precipitate interfaces,metal grain boundary interfaces,metal-deposited film surfaces,metal fracture surfaces,metal machined surfaces,and metal wear surfaces.The relationship between the fractal dimensions and properties of metal material surfaces and interfaces is summarized.Starting from three perspectives of fractal analysis,namely,research scope,image acquisition methods,and calculation methods,this paper identifies the direction of research on fractal analysis of metal material surfaces and interfaces that need to be developed.It is believed that revealing the deep influence mechanism between the fractal dimensions and properties of metal material surfaces and interfaces will be the key research direction of the fractal analysis of metal materials in the future.
基金supported by National Natural Science Foundation of China(Nos.12072381,22072185,21805315)Guangdong Basic and Applied Basic Research Foundation(No.2024A1515011812)Science and Technology Innovation Project of Guangzhou(No.202102020263).
文摘On-demand droplet manipulation plays a critical role in microfluidics,bio/chemical detection and microreactions.Acoustic droplet manipulation has emerged as a promising technique due to its non-contact nature,biocompatibility and precision,circumventing the complexities associated with other methods requiring surface or droplet pretreatment.Despite their promise,existing methods for acoustic droplet manipulation often involve complex hardware setups and difficulty for controlling individual droplet amidst multiple ones.Here we fabricate simple yet effective acoustic tweezers for in-surface and out-of-surface droplet manipulation.It is found that droplets can be transported on the superhydrophobic surfaces when the acoustic radiation force surpasses the friction force.Using a two-axis acoustic tweezer,droplets can be maneuvered along arbitrarily programmed paths on the surfaces.By introducing multiple labyrinthine structures on the superhydrophobic surface,individual droplet manipulation is realized by constraining the unselected droplets in the labyrinthine structures.In addition,a three-axis acoustic tweezer is developed for manipulating droplets in three-dimensional space.Potential applications of the acoustic tweezers for micro-reaction,bio-assay and chemical analysis are also demonstrated.
基金Supported by the National Natural Science Foundation of China(12001327,12071057)。
文摘Toric patch is a kind of rational multisided patch,which is associated with a finite integer lattice points set A.A set of weights is defined which depend on a parameter according to regular decomposition of A.When all weights of the patch tend to infinity,we obtain the limiting form of toric patch which is called its regular control surface.The diferent weights may induce the diferent regular control surfaces of the same toric patch.It prompts us to consider that how many regular control surfaces of a toric patch.In this paper,we study the regular decompositions of A by using integer programming method firstly,and then provide the relationship between all regular decompositions of A and corresponding state polytope.Moreover,we present that the number of regular control surfaces of a toric patch associated with A is equal to the number of regular decompositions of A.An algorithm to calculate the number of regular control surfaces of toric patch is provided.The algorithm also presents a method to construct all of the regular control surfaces of a toric patch.At last,the application of proposed result in shape deformation is demonstrated by several examples.
基金Projects(51775445,52175435)supported by the National Natural Science Foundation of ChinaProject(CX2023051)supported by the Innovation Foundation for Doctor Dissertation of Northwestern Polytechnical University,China。
文摘On-machine measurement(OMM)stands out as a pivotal technology in complex curved surface adaptive machining.However,the complex structure inherent in workpieces poses a significant challenge as the stylus orientation frequently shifts during the measurement process.Consequently,a substantial amount of time is allocated to calibrating pre-travel error and probe movement.Furthermore,the frequent movement of machine tools also increases the influence of machine errors.To enhance both accuracy and efficiency,an optimization strategy for the OMM process is proposed.Based on the kinematic chain of the machine tools,the relationship between the angle combination of rotary axes,the stylus orientation,and the calibration position of pre-travel error is disclosed.Additionally,an OMM efficiency optimization model for complex curved surfaces is developed.This model is solved to produce the optimal efficiency angle combinations for each to-be-measured point.Within each angle combination,the effects of positioning errors on measurement results are addressed by coordinate system offset and measurement result compensation method.Finally,the experiments on an impeller are used to demonstrate the practical utility of the proposed method.
基金supported by the National Natural Science Foundation of China(No.22273002)the National Key Research and Development Program of China(No.2022YFB4101401).We acknowledge the High-performance Computing Platform of Peking University for providing the computational facility.
文摘Bimetallic surfaces play a pivotal role in heterogeneous catalysis,yet their theoretical modeling has long been hindered by the computational chal-lenges of capturing configurational disorder,a critical feature governing their catalytic properties.Tradition-al approaches rely on oversimplified ordered surface models or restrict dis-order to a few atomic layers,limiting their predictive power.Here,we Cu_(1-x)Zn_(x)Cu_(1-x)Zn_(x)present an accurate and efficient computational framework that integrates machine learning force fields(MLFFs)with the cluster expansion(CE)method to study configurationally dis-ordered bimetallic surfaces at finite temperatures.We have developed an efficient workflow in which the MLFF is first trained iteratively via an active learning protocol,and then used to generate accurate energetic data for thousands of configurations that enable robust CE model construction.By treating bulk and surface clusters separately,we can build CE models for surface slabs with an arbitrary number of layers.Using as a case study,our CE-based Monte Carlo simulations reveal key structural insights that are relevant to the under-standing of catalytic properties of surfaces.This work demonstrates how MLFF-aided CE can overcome traditional limitations in theoretical modeling of bimetallic surfaces and highlights pathways toward more realistic modeling of heterogeneous catalysts.
基金supported by the National Natural Science Foundation of China(Grant Nos.12372100,12302126,and 12302141)the China Postdoctoral Science Foundation(Grant No.2023M732799)+1 种基金the Fundamental Research Funds for the Central Universities(Grant No.xzy012024020)Sihe Wang also thanks the support from the China Scholarship Council(CSC).
文摘In this paper,an incremental contact model is developed for the elastic self-affine fractal rough surfaces under plane strain condition.The contact between a rough surface and a rigid plane is simplified by the accumulation of identical line contacts with half-width given by the truncated area divided by the contact patch number at varying heights.Based on the contact stiffness of two-dimensional flat punch,the total stiffness of rough surface is estimated,and then the normal load is calculated by an incremental method.For various rough surfaces,the approximately linear load-area relationships predicted by the proposed model agree well with the results of finite element simulations.It is found that the real average contact pressure depends significantly on profile properties.
基金the National Key Research and Development Projects(Grant Nos.2021YFB3300601,2021YFB3300603,2021YFB3300604)the Fundamental Research Funds for the Central Universities(No.DUT22QN241)is acknowledged.
文摘To address the challenges associated with multi-sided shells in traditional isogeometric analysis(IGA),this paper introduces a novel isogeometric shell method for trimmed CAD geometries based on toric surfaces and Reissner–Mindlin shell theory.By utilizing toric surface patches,both trimmed and untrimmed elements of the CAD surfaces are represented through a unified geometric framework,ensuring continuity and an accurate geometric description.Toric-Bernstein basis functions are employed to accurately interpolate the geometry and displacement of the trimmed shell.For singularities and corner points on the toric surface,the normal vector is defined as the unit directional vector from the center of curvature to the corresponding control point.Several numerical examples of polygonal shells are presented to evaluate the effectiveness and robustness of the proposed method.This approach significantly simplifies the treatment of trimmed shell IGA and provides a promising solution for simulating complex shell structures with intricate boundaries.
基金the funding supported from the National Research Foundation of Korea(NRF)grant funded by the Korea Government MSIT(No.2021R1C1C1006003).
文摘Understanding frictional anisotropy,which refers to the variation in frictional resistance based on the shear direction,is crucial for optimizing the friction angle between a bio-inspired structure and the surrounding soil.Previous studies focused on estimating the interface frictional anisotropy mobilized by snakeskin-inspired textured surfaces and sand under monotonic shear loading conditions.However,there is a need to estimate interface frictional anisotropy under repetitive shear loads.In this study,a series of repetitive direct shear(DS)tests are performed with snakeskin-inspired textured surfaces under a constant vertical stress and two shear directions(cranial first half→caudal second half or caudal first half→cranial second half).The results show that(1)mobilized shear stress increases with the number of shearing cycles,(2)cranial shearing(shearing against the scales)consistently produces a higher shear resistance and less contractive behavior than caudal shearing(shearing along the scales),and(3)a higher scale height or smaller scale length of the surface yields a higher interface friction angle across all shearing cycles.Further analysis reveals that the gap between the cranial and caudal shear zones of the interface friction angle as a function of L/H(i.e.the ratio of scale length L to scale height H)continues to decrease as the number of shearing cycles approaches asymptotic values.The directional frictional resistance(DFR)decreases as the number of shearing cycles increases.Furthermore,the discussion covers the impact of initial relative density,vertical stress,and the number of shearing cycles on interface frictional anisotropy.
基金supported by the National Natural Science Found for Distinguished Young Scholars(52225101)the Fundamental Research Funds for the Central Universities(WUT:104972024RSCbs0018 and 2023CDJYXTD-002)+1 种基金the Natural Science Foundation of Chongqing(CSTB2023NSCQ-MSX0527)the Chongqing Academician Special Fund(2022YSZXJCX0014CSTB).
文摘As one of the lightest engineering materials,magnesium(Mg)alloy possesses excellent mechanical performance,meeting the needs of versatile engineering fields and holding the potential to address cutting-edge issues in aerospace,electronics,biomedicine.The design of superhydrophobic(SHB)surfaces with micro and nanostructures can endow Mg alloys with multiple functionalities,such as self-cleaning,self-healing,antibacterial,and corrosion resistance.Over the past decade,researchers have drawn inspiration from nature to implement biomimetic design principles,resulting in the rapid development of micro/nanostructured SHB surfaces on Mg alloys,which hold great promise for biomedical applications.This review comprehensively introduces the biomimetic design principles of micro/nanostructured SHB surfaces on Mg alloys,discusses the challenges along with advantages and disadvantages of current preparation methods,and explores the future perspectives for preparing these SHB surfaces,providing strategies to enhance their performance in biomedical applications.
基金supported by the National Natural Science Foundation of China(Grant No.12272369)the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB0620101).
文摘In recent decades,capacitive pressure sensors(CPSs)with high sensitivity have demonstrated significant potential in applications such as medical monitoring,artificial intelligence,and soft robotics.Efforts to enhance this sensitivity have predominantly focused on material design and structural optimization,with surface microstructures such as wrinkles,pyramids,and micro-pillars proving effective.Although finite element modeling(FEM)has guided enhancements in CPS sensitivity across various surface designs,a theoretical understanding of sensitivity improvements remains underexplored.This paper employs sinusoidal wavy surfaces as a representative model to analytically elucidate the underlying mechanisms of sensitivity enhancement through contact mechanics.These theoretical insights are corroborated by FEM and experimental validations.Our findings underscore that optimizing material properties,such as Young’s modulus and relative permittivity,alongside adjustments in surface roughness and substrate thickness,can significantly elevate the sensitivity.The optimal performance is achieved when the amplitude-to-wavelength ratio(H/)is about 0.2.These results offer critical insights for designing ultrasensitive CPS devices,paving the way for advancements in sensor technology.
基金This work are supported by the Natural Science Foundation of China General Program(Grant No.12272157)the Natural Science Foundation of China Major Program(Grant No.12327901)+1 种基金the Fundamental Research Funds for the Central Universities(Grant No.lzujbky-2023-ey05)the 111 Project(Grant No.B14044).
文摘The contact problem of deformed rough surfaces exists widely in complex engineering structures.How to reveal the influence mechanism of surface deformation on the contact properties is a key issue in evaluating the interface performances of the engineering structures.In this paper,a contact model is established,which is suitable for tensile and bending deformed contact surfaces.Four contact forms of asperities are proposed,and their distribution characteristics are analyzed.This model reveals the mechanism of friction generation from the perspective of the force balance of asperity.The results show the contact behaviors of the deformed contact surface are significantly different from that of the plane contact,which is mainly reflected in the change in the number of contact asperities and the real contact area.This study suggests that the real contact area of the interface can be altered by applying tensile and bending strains,thereby regulating its contact mechanics and conductive behavior.
基金National Natural Science Foundation of China (50875012)National High-tech Research and Development Program (2008AA04Z124)+1 种基金National Science and Technology Major Project (2009ZX04001-141)Joint Construction Project of Beijing Municipal Commission of Education
文摘The problem of finished surface being not first-order continuous commonly exists in machining sculptured surfaces with a torus cutter and some other types of cutters. To solve this problem, a dual drive curve tool path planning method is proposed in this article. First, the maximum machining strip width of a whole tool path can be obtained through optimizing each tool position with multi-point machining （MPM） method. Second, two drive curves are then determined according to the obtained maximum machining strip width. Finally, the tool is positioned once more along the dual drive curve under the condition of tool path smoothness. A computer simulation and cutting experiments are carried out to testify the performance of the new method. The machined surface is measured with a coordinate measuring machine （CMM） to examine the machining quality. The results obtained show that this method can effectively eliminate sharp scallops between adjacent tool paths, keep tool paths smooth, and improve the surface machining quality as well as machining efficiency.
基金Supported by the National Natural Science Foundation of China(Grant No.12026411)。
文摘We deal with the properties of incompressible and pairwise incompressible surfaces in knot complements through the application of relevant properties of almost simple topological graphs.We analyze the topological graph invariants associated with surfaces embedded in the complements of alternating and almost alternating knots.Specifically,we prove that the characteristic numbers of these graphs remain invariant under two fundamental transformations(R-move and S^(2)-move).Leveraging the interplay between characteristic numbers and Euler characteristics,and further connecting Euler characteristics to surface genus,we derive novel results regarding the genus of incompressible pairwise incompressible surfaces.Additionally,we establish a discriminant criterion to determine when such surfaces in knot complements admit genus zero.
基金supported by the National Natural Science Foundation of China(No.52374264)the National Key Technologies Research and Development Program of China(No.2024YFC2909600)the Major Science and Technology Projects in Yunnan Province(No.202402AB080010).
文摘In recent years,the study of chalcopyrite and pyrite flotation surfaces using computational chemistry methods has made significant progress.However,current computational methods are limited by the small size of their systems and insufficient consideration of hydration and temperature effects,making it difficult to fully replicate the real flotation environment of chalcopyrite and pyrite.In this study,we employed the self-consistent charge density functional tight-binding(SCC-DFTB)parameterization method to develop a parameter set,CuFeOrg,which includes the interactions between Cu-Fe-C-H-O-N-S-P-Zn elements,to investigate the surface interactions in large-scale flotation systems of chalcopyrite and pyrite.The results of bulk modulus,atomic displacement,band structure,surface relaxation,surface Mulliken charge distribution,and adsorption tests of typical flotation reagents on mineral surfaces demonstrate that CuFeOrg achieves DFT-level accuracy while significantly outperforming DFT in computational efficiency.By constructing large-scale hydration systems of mineral surfaces,as well as large-scale systems incorporating the combined interactions of mineral surfaces,flotation reagents,and hydration,we more realistically reproduce the actual flotation environment.Furthermore,the dynamic analysis results are consistent with mineral surface contact angle experiments.Additionally,CuFeOrg lays the foundation for future studies of more complex and diverse chalcopyrite and pyrite flotation surface systems.
基金supported by the Natural Science Foundation of Shandong Province(No.ZR2022MB034)。
文摘Functional materials synthesized from bio-based building blocks are fascinating and challenging in the fields of chemistry and materials science.Herein,we present a versatile strategy for synthesizing bio-based stimulus-responsive polymers derived from itaconic acid(IA).Bearing an azobenzene-containing side chain,the IA-based epoxy polymer exhibited both photoresponsiveness and acid/base-stimulus responsiveness.With controllable manipulation of the stress field of the wrinkling IA-polymer film via the stress relaxation effect resulting from the reversible cis-trans isomerization of the azobenzene moieties or solvent-induced swelling of the film,various tailor-made patterned wrinkling surfaces were conveniently fabricated.More importantly,the azobenzene protonation/deprotonation yields a reversible visual color transformation between pale yellow and purple in the film,which allows these IA-based polymer-coated surfaces to be utilized as rewritable information storage media.Various elegant pattern information can be acid-printed and base-erased(within 10 s)for multiple cycles and legible for over one day under laboratory conditions.Notably,the aforementioned dual-stimulus responsiveness of the IA-based polymer film enables its surface to be applied in information encryption.This study not only paves a new avenue for the convenient fabrication of stimulus-responsive surfaces but also sheds light on the development of functional polymers through green engineering.
基金supported by the National Natural Science Foundation of China(No.22373084,No.62201494)Hebei Natural Science Foundation(B2022203007)the Cultivation Project for Basic Research and Innovation of Yanshan University(2024LGZD002).
文摘The adsorption properties of a magnesium porphyrin(MgP)molecule on Au(111)surface covered with up to three lay-ers of sodium chloride(NaCl)were investigated by means of first-principles calculations.The most stable adsorption configuration of MgP on the NaCl/Au(111)heterosurfaces was found to be at the Cl-top site with a 20°angle between the[110]lattice direction of NaCl and the Mg–N bond of the molecule.Compared with MgP molecule adsorbed on bare Au(111),the inclusion of NaCl lay-ers can lead to a significant decrease in the adsorption energy of the MgP molecule.The exis-tence of NaCl layers also reduced the charge transfer between the molecule and the surface.For heterosurfaces with two or three monolayers of NaCl,the charge transfer was almost com-pletely suppressed.The obtained partial density of states(PDOS)showed that hybridization between the electronic structures of the adsorbed MgP molecule and the metal surface can be significantly suppressed when NaCl layers were added.For the heterosurface with three lay-ers of NaCl,the PDOS around the Fermi level was almost identical with that of the free molecule,suggesting the electronic structure of the MgP molecule was nicely preserved.Influ-ence of the NaCl layers on the electronic structure of the MgP molecule was mainly found for molecular orbitals(MOs)away from the Fermi level as a result of the large band gap of the NaCl layers.
基金Supported by the National Natural Science Foundation of China(Grant No.12171147).
文摘In this paper,we construct an efficient decoupling-type strategy for solving the Allen-Cahn equation on curved surfaces.It is based on an FEM-EIEQ(Finite Element Method and explicit-Invariant Energy Quadratization)fully discrete scheme with unconditional energy stability.Spatially the FEM is adopted,using a triangular mesh discretization strategy that can be adapted to complex regions.Temporally,the EIEQ approach is considered,which not only linearizes the nonlinear potential but also gives a new variable that we combine with the nonlocal splitting method to achieve the fully decoupled computation.The strategy can successfully transform the Allen-Cahn system into some completely independent algebraic equations and linear elliptic equations with constant coefficients,we only need to solve these simple equations at each time step.Moreover,we conducted some numerical experiments to demonstrate the effectiveness of the strategy.
基金the financial support from National Natural Science Foundation of China (Nos. 62192771, 12374344, 12221004)National Key Research and Development Program of China (2022YFA1204700, 2020YFA0710100)+1 种基金Natural Science Foundation of Shanghai (Grant No. 23dz2260100)China Postdoctoral Science Foundation 2021TQ0077
文摘On-chip devices for generating pre-designed vectorial optical fields(VOFs)under surface wave(SW)excitations are highly desired in integrated photonics.However,conventional devices are usually of large footprints,low efficiencies,and limited wave-control capabilities.Here,we present a generic approach to design ultra-compact on-chip devices that can efficiently generate pre-designed VOFs under SW excitations,and experimentally verify the concept in terahertz(THz)regime.We first describe how to design SW-excitation metasurfaces for generating circularly polarized complex beams,and experimentally demonstrate two meta-devices to realize directional emission and focusing of THz waves with oppo-site circular polarizations,respectively.We then establish a systematic approach to construct an integrated device via merging two carefully designed metasurfaces,which,under SW excitations,can separately produce pre-designed far-field patterns with different circular polarizations and generate target VOF based on their interference.As a proof of con-cept,we demonstrate experimentally a meta-device that can generate a radially polarized Bessel beam under SW excita-tion at~0.4 THz.Experimental results agree well with full-wave simulations,collectively verifying the performance of our device.Our study paves the road to realizing highly integrated on-chip functional THz devices,which may find many ap-plications in biological sensing,communications,displays,image multiplexing,and beyond.
