Engineering of geometrical configurations in dual-atom catalysts for electrocatalytic applications

Geometrical configurations play a crucial role in dual-atom catalysts(DACs)for electrocatalytic applications.Significant progress has been made to design DACs electrocatalysts with various geometri-cal configurations,but in-depth understanding the relationship between geometrical configurations and metal-metal interaction mechanisms for designing targeted DACs is still required.In this review,the recent progress in engineering of geometrical configurations of DACs is systematically summarized.Based on the polarity of geometrical configuration,DACs can be classified into two different types that are homonuclear and heteronuclear DACs.Furthermore,with regard to the geometrical configurations of the active sites,homonuclear DACs are identified into adjacent and bridged configurations,and heteronuclear DACs can be classified into adjacent,bridged,and separated configurations.Subsequently,metal-metal interactions in DACs with different geometrical configurations are introduced.Additionally,the applications of DACs in different electrocatalytic reactions are discussed,including the oxygen reduction reaction(ORR),oxygen evolution reaction(OER),hydrogen evolution reaction(HER),and other catalysis.Finally,the future challenges and perspectives for advancements in DACs are high-lighted.This review aims to provide inspiration for the design of highly effcient DACs towards energy relatedapplications.

Modeling Geometrically Nonlinear FG Plates: A Fast and Accurate Alternative to IGA Method Based on Deep Learning

Isogeometric analysis (IGA) is known to showadvanced features compared to traditional finite element approaches.Using IGA one may accurately obtain the geometrically nonlinear bending behavior of plates with functionalgrading (FG). However, the procedure is usually complex and often is time-consuming. We thus put forward adeep learning method to model the geometrically nonlinear bending behavior of FG plates, bypassing the complexIGA simulation process. A long bidirectional short-term memory (BLSTM) recurrent neural network is trainedusing the load and gradient index as inputs and the displacement responses as outputs. The nonlinear relationshipbetween the outputs and the inputs is constructed usingmachine learning so that the displacements can be directlyestimated by the deep learning network. To provide enough training data, we use S-FSDT Von-Karman IGA andobtain the displacement responses for different loads and gradient indexes. Results show that the recognition erroris low, and demonstrate the feasibility of deep learning technique as a fast and accurate alternative to IGA formodeling the geometrically nonlinear bending behavior of FG plates.

Iterative Subregion Correction Preconditioners with Adaptive Tolerance for Problems with Geometrically Localized Stiffness

We present a class of preconditioners for the linear systems resulting from a finite element or discontinuous Galerkin discretizations of advection-dominated problems.These preconditioners are designed to treat the case of geometrically localized stiffness,where the convergence rates of iterative methods are degraded in a localized subregion of the mesh.Slower convergence may be caused by a number of factors,including the mesh size,anisotropy,highly variable coefficients,and more challenging physics.The approach taken in this work is to correct well-known preconditioners such as the block Jacobi and the block incomplete LU(ILU)with an adaptive inner subregion iteration.The goal of these preconditioners is to reduce the number of costly global iterations by accelerating the convergence in the stiff region by iterating on the less expensive reduced problem.The tolerance for the inner iteration is adaptively chosen to minimize subregion-local work while guaranteeing global convergence rates.We present analysis showing that the convergence of these preconditioners,even when combined with an adaptively selected tolerance,is independent of discretization parameters(e.g.,the mesh size and diffusion coefficient)in the subregion.We demonstrate significant performance improvements over black-box preconditioners when applied to several model convection-diffusion problems.Finally,we present performance results of several variations of iterative subregion correction preconditioners applied to the Reynolds number 2.25×10^(6)fluid flow over the NACA 0012 airfoil,as well as massively separated flow at 30°angle of attack.

Quantification of grain boundary effects on the geometrically necessary dislocation density evolution and strain hardening of polycrystalline Mg-4Al using in situ tensile testing in scanning electron microscope and HR-EBSD

In situ tensile testing in a scanning electron microscope(SEM)in conjunction with high-resolution electron backscatter diffraction(HR-EBSD)under load was used to characterize the evolution of geometrically necessary dislocation(GND)densities at individual grain boundaries as a function of applied strain in a polycrystalline Mg-4Al alloy.The increase in GND density was investigated at plastic strains of 0%,0.6%,2.2%,3.3% from the area including 76 grains and correlated with(i)geometric compatibility between slip systems across grain boundaries,and(ii)plastic incompatibility.We develop expressions for the grain boundary GND density evolution as a function of plastic strain and plastic incompatibility,from which uniaxial tensile stress-strain response of polycrystalline Mg-4Al are computed and compared with experimental measurement.The findings in this study contribute to understanding the mechanisms governing the strain hardening response of single-phase polycrystalline alloys and more reliable prediction of mechanical behaviors in diverse microstructures.

Influence of manufacturing process-induced geometrical defects on the energy absorption capacity of polymer lattice structures

Modern additive manufacturing processes enable fabricating architected cellular materials of complex shape,which can be used for different purposes.Among them,lattice structures are increasingly used in applications requiring a compromise among lightness and suited mechanical properties,like improved energy absorption capacity and specific stiffness-to-weight and strength-to-weight ratios.A dedicated modeling strategy to assess the energy absorption capacity of lattice structures under uni-axial compression loading is presented in this work.The numerical model is developed in a non-linear framework accounting for the strain rate effect on the mechanical responses of the lattice structure.Four geometries,i.e.,cubic body centered cell,octet cell,rhombic-dodecahedron and truncated cuboctahedron 2+,are investigated.Specifically,the influence of the relative density of the representative volume element of each geometry,the strain-rate dependency of the bulk material and of the presence of the manufacturing process-induced geometrical imperfections on the energy absorption capacity of the lattice structure is investigated.The main outcome of this study points out the importance of correctly integrating geometrical imperfections into the modeling strategy when shock absorption applications are aimed for.

Nonlinear dynamics of a circular curved cantilevered pipe conveying pulsating fluid based on the geometrically exact model

Due to the novel applications of flexible pipes conveying fluid in the field of soft robotics and biomedicine,the investigations on the mechanical responses of the pipes have attracted considerable attention.The fluid-structure interaction(FSI)between the pipe with a curved shape and the time-varying internal fluid flow brings a great challenge to the revelation of the dynamical behaviors of flexible pipes,especially when the pipe is highly flexible and usually undergoes large deformations.In this work,the geometrically exact model(GEM)for a curved cantilevered pipe conveying pulsating fluid is developed based on the extended Hamilton's principle.The stability of the curved pipe with three different subtended angles is examined with the consideration of steady fluid flow.Specific attention is concentrated on the large-deformation resonance of circular pipes conveying pulsating fluid,which is often encountered in practical engineering.By constructing bifurcation diagrams,oscillating shapes,phase portraits,time traces,and Poincarémaps,the dynamic responses of the curved pipe under various system parameters are revealed.The mean flow velocity of the pulsating fluid is chosen to be either subcritical or supercritical.The numerical results show that the curved pipe conveying pulsating fluid can exhibit rich dynamical behaviors,including periodic and quasi-periodic motions.It is also found that the preferred instability type of a cantilevered curved pipe conveying steady fluid is mainly in the flutter of the second mode.For a moderate value of the mass ratio,however,a third-mode flutter may occur,which is quite different from that of a straight pipe system.

Effect of the Geometrical Parameter of OpenMicrochannel on Pool Boiling Enhancement

High heat dissipation is required for miniaturization and increasing the power of electronic systems.Pool boiling is a promising option for achieving efficient heat dissipation at low wall superheat without the need for moving parts.Many studies have focused on improving heat transfer efficiency during boiling by modifying the surface of the heating element.This paper presents an experimental investigation on improving pool boiling heat transfer using an open microchannel.The primary goal of this work is to investigate the impact of the channel geometry characteristics on boiling heat transfer.Initially,rectangular microchannels were prepared on a circular copper test piece with a diameter of 20 mm.Then,the boiling characteristics of these microchannels were compared with those of a smooth surface under saturated conditions using deionized water.In this investigation,a wire-cutting electrical discharge machine(EDM)machine was used to produce parallel microchannels with channel widths of 0.2,0.4,and 0.8 mm.The fin thicknesses were 0.2,0.4,and 0.6 mm,while the channel depth remained constant at 0.4 mm.The results manifested that the surface featuring narrower fins and broader channels achieved superior performance.The heat transfer coefficient(HTC)was enhanced by a maximum of 248%,and the critical heat flux(CHF)was enhanced by a maximum of 101%compared to a plain surface.Eventually,the obtained results were compared with previous research and elucidated a good agreement.

基于密度泛函理论研究Ag-Co团簇的结构、电子和光学性能

基于密度泛函理论研究了7个原子Ag-Co团簇结构的稳定性、电子和光学性能.研究结果表明,7个原子Ag-Co团簇的最稳定结构都是十面体结构,Co原子数量较少时,Co原子主要占据十面体的轴向位,Ag原子主要占据赤道位,随着Co原子数的增加,Co原子逐渐替换了赤道位上的Ag原子.当Co原子数增加时,Ag-Co团簇的垂直电离势、垂直电子亲能和最高占据轨道与最低未占据轨道之间的能隙整体上都呈现出下降趋势,表明电子稳定性降低;Ag-Co团簇的吸收光谱整体出现了红移,吸收峰的强度逐渐减弱,吸收谱的宽度变窄.

An Efficient Algorithm for Calculating Aircraft RCS Based on the Geometrical Characteristics

Taking into account the influences of scatterer geometrical shapes on induced currents, an algorithm, termed the sparse-matrix method （SMM）, is proposed to calculate radar cross section （RCS） of aircraft configuration. Based on the geometrical characteristics and the method of moment （MOM）, the SMM points out that the strong current coupling zone could be predefined according to the shape of scatterers. Two geometrical parameters, the surface curvature and the electrical space between the field position and source position, are deducted to distinguish the dominant current coupling. Then the strong current coupling is computed to construct an impedance matrix having sparse nature, which is solved to compute RCS. The efficiency and feasibility of the SMM are demonstrated by computing electromagnetic scattering of some kinds of shapes such as a cone-sphere with a gap, a bi-arc column and a stealth aircraft configuration. The numerical results show that： （1） the accuracy of SMM is satisfied, as compared with MOM, and the computational time it spends is only about 8% of the MOM; （2） with the electrical space considered, making another allowance for the surface curvature can reduce the computation time by 9.5%.

Residual elastic stress strain field and geometrically necessary dislocation density distribution around nano-indentation in TA15 titanium alloy

Nanoindentation and high resolution electron backscatter diffraction（EBSD） were combined to examine the elastic modulus and hardness of α and β phases,anisotropy in residual elastic stress strain fields and distributions of geometrically necessary dislocation（GND） density around the indentations within TA15 titanium alloy.The nano-indention tests were conducted on α and β phases,respectively.The residual stress strain fields surrounding the indentation were calculated through crosscorrelation method from recorded patterns.The GND density distribution around the indentation was calculated based on the strain gradient theories to reveal the micro-mechanism of plastic deformation.The results indicate that the elastic modulus and hardness for α p hase are 129.05 GPas and 6.44 GPa,while for β phase,their values are 109.80 GPa and 4.29 GPa,respectively.The residual Mises stress distribution around the indentation is relatively heterogeneous and significantly influenced by neighboring soft β phase.The region with low residual stress around the indentation is accompanied with markedly high a type and prismatic-GND density.

Effect of geometrical parameters on forming quality of high-strength TA18 titanium alloy tube in numerical control bending

The forming quality of high-strength TA18 titanium alloy tube during numerical control bending in changing bending angle β, relative bending radius R/D and tube sizes such as diameter D and wall thickness t was clarified by finite element simulation. The results show that the distribution of wall thickness change ratio Δt and cross section deformation ratio ΔD are very similar under different β; the Δt and ΔD decrease with the increase of R/D, and to obtain the qualified bent tube, the R/D must be greater than 2.0; the wall thinning ratio Δto slightly increases with larger D and t, while the wall thickening ratio Δti and ΔD increase with the larger D and smaller t; the Δto and ΔD firstly decrease and then increase, while the Δti increases, for the same D/t with the increase of D and t.

New tangent stiffness matrix for geometrically nonlinear analysis of space frames

A three-dimensional beam element is derived based on the principle of stationary total potential energy for geometrically nonlinear analysis of space frames. A new tangent stiffness matrix, which allows for high order effects of element deformations, replaces the conventional incremental secant stiffness matrix. Two deformation stiffness matrices due to the variation of axial force and bending moments are included in the tangent stiffness. They are functions of element deformations and incorporate the coupling among axial, lateral and torsional deformations. A correction matrix is added to the tangent stiffness matrix to make displacement derivatives equivalent to the commutative rotational degrees of freedom. Numerical examples show that the proposed dement is accurate and efficient in predicting the nonlinear behavior, such as axial-torsional and flexural-torsional buckling, of space frames even when fewer elements are used to model a member.

基于机器视觉的兰花几何参数测量方法

为实现兰花几何参数快速测量,以“金凤蝶”兰花为研究对象,搭建图像采集平台并设计了一套兰花花朵几何参数测量算法。采用Canny-Harris算法实现兰花角点检测,采用K-means算法、RGB阈值分割算法实现兰花分割,并采用MER算法及遍历算法实现兰花具体几何参数测量。进行兰花算法识别测量试验,结果表明:单株兰花测量仅需10 s左右,相较人工测量速率提升了近60倍,测量数据可为兰花选育种工作提供判断依据。

REFINED HYBRID MINDLIN PLATE ELEMENT FOR GEOMETRICALLY NON LINEAR ANALYSIS

Based upon a generalized variational principle, which relaxed the inter element continuity requirements, a novel refined hybrid Mindlin plate element is developed, its non linear element stiffness matrices are decomposed into a series of matrices with respect to the assumed strain modes. The formulation presented in this paper is different from any other non linear mixed/hybrid element formulation all successful experience of linear hybrid formulation is absorbed into the formulation(adding non conforming modes and realizing orthogonalization) Numerical results show that the present approach is more effective than any other non linear hybrid element formulation over the accuracy and computational efficiency. In addition, non conforming modes can also overcome the shear locking effect.

Tread Wear and Footprint Geometrical Characters of Truck Bus Radial Tires

Wear and mileage performance are the foremost performances for truck bus radial (TBR) tires. There are a lot of researches about the tire wear performance as well as the contact patch phenomenon by using finite element analysis (FEA) method or testing. But there is little published data on the correlations between the footprint geometry and the tread wear performance of tires. In this paper, an experiment on tire-ground performance of TBR tires is carried out by using Tekscan. The real-time changes of contact-area pressure distribution that occurred during the process of continuous load and unload are recorded. Three types of tires that act differently in behavior under normal usage are analyzed. A new method of researching in tire tread wear, which focuses on the geometrical characters of the footprint, is put forward. The experimental results of the three tires are described by using footprint geometrical characters. On the basis of studying the changing laws of footprint geometrical characters during the loading process and considering consumer survey and factory feedback information, the correlations between the geometrical character of footprints and tread destruction form are built. The analyzed results show that a greater contact area coefficient and a steady coefficient of contact result in a better wear performance for TBR tires. The footprint-shape coefficient changing laws in the process of loading are found to have a very good coincidence with the tread wear of the three types of tires. Tires with a smaller footprint-shape coefficient are likely to have an average tread wear while avoiding the shoulder wear first. The proposed research provides a new solution to predict tire-ground performance at the point of footprint and several useful references for improving tire design.

GEOMETRICALLY NONLINEAR FINITE ELEMENT MODEL OF SPATIAL THIN-WALLED BEAMS WITH GENERAL OPEN CROSS SECTION

Based on the theory of Timoshenko and thin-walled beams, a new finite element model of spatial thin-walled beams with general open cross sections is presented in the paper, in which several factors are included such as lateral shear deformation, warp generated by nonuni- form torsion and second-order shear stress, coupling of flexure and torsion, and large displacement with small strain. With an additional internal node in the element, the element stiffness matrix is deduced by incremental virtual work in updated Lagrangian （UL） formulation. Numerical examples demonstrate that the presented model well describes the geometrically nonlinear property of spatial thin-walled beams.

Evaluation of the effect of geometrical parameters on stope probability of failure in the open stoping method using numerical modeling

Stress-induced failure is among the most common causes of instability in Canadian deep underground mines.Open stoping is the most widely practiced underground excavation method in these mines,and creates large stopes which are subjected to stress-induced failure.The probability of failure(POF)depends on many factors,of which the geometry of an open stope is especially important.In this study,a methodology is proposed to assess the effect of stope geometrical parameters on the POF,using numerical modelling.Different ranges for each input parameter are defined according to previous surveys on open stope geometry in a number of Canadian underground mines.A Monte-Carlo simulation technique is combined with the finite difference code FLAC3D,to generate model realizations containing stopes with different geometrical features.The probability of failure(POF)for different categories of stope geometry,is calculated by considering two modes of failure;relaxation-related gravity driven(tensile)failure and rock mass brittle failure.The individual and interactive effects of stope geometrical parameters on the POF,are analyzed using a general multi-level factorial design.Finally,mathematical optimization techniques are employed to estimate the most stable stope conditions,by determining the optimal ranges for each stope’s geometrical parameter.

Topology Optimization of Compliant Mechanisms with Geometrical Nonlinearities Using the Ground Structure Approach

The majority of topology optimization of compliant mechanisms uses linear finite element models to find the structure responses.Because the displacements of compliant mechanisms are intrinsically large,the topological design can not provide quantitatively accurate result.Thus,topological design of these mechanisms considering geometrical nonlinearities is essential.A new methodology for geometrical nonlinear topology optimization of compliant mechanisms under displacement loading is presented.Frame elements are chosen to represent the design domain because they are capable of capturing the bending modes.Geometrically nonlinear structural response is obtained by using the co-rotational total Lagrange finite element formulation,and the equilibrium is solved by using the incremental scheme combined with Newton-Raphson iteration.The multi-objective function is developed by the minimum strain energy and maximum geometric advantage to design the mechanism which meets both stiffness and flexibility requirements, respectively.The adjoint method and the direct differentiation method are applied to obtain the sensitivities of the objective functions. The method of moving asymptotes（MMA） is employed as optimizer.The numerical example is simulated to show that the optimal mechanism based on geometrically nonlinear formulation not only has more flexibility and stiffness than that based on linear formulation,but also has better stress distribution than the one.It is necessary to design compliant mechanisms using geometrically nonlinear topology optimization.Compared with linear formulation,the formulation for geometrically nonlinear topology optimization of compliant mechanisms can give the compliant mechanism that has better mechanical performance.A new method is provided for topological design of large displacement compliant mechanisms.

Geometrical-Analysis-Based Algorithm for Stereo Matching of Single-Lens Binocular and Multi-Ocular Stereovision System

A geometrical analysis based algorithm is proposed to achieve the stereo matching of a single-lens prism based stereovision system. By setting the multi- face prism in frontal position of the static CCD （CM-140MCL） camera, equivalent stereo images with different orientations are captured synchronously by virtual cameras which are defined by two boundary lines： the optical axis and CCD camera field of view boundary. Subsequently, the geometrical relationship between the 2D stereo images and corresponding 3D scene is established by employing two fundamentals： ray sketching in which all the pertinent points, lines, and planes are expressed in the 3D camera coordinates and the rule of refraction. Landing on this relationship, the epipolar geometry is thus obtained by fitting a set of corresponding candidate points and thereafter, stereo matching of the prism based stereovision system is obtained. Moreover, the unique geometrical properties of the imaging system allow the proposed method free from the complicated camera calibration procedures and to be easily generalized from binocular and tri-oeular to multi-ocular stereovision systems. The performance of the algorithm is presented through the experiments on the binocular imaging system and the comparison with a conventional projection method demonstrates the efficient assessment of our novel contributions.

A MESHLESS LOCAL PETROV-GALERKIN METHOD FOR GEOMETRICALLY NONLINEAR PROBLEMS

Nonlinear formulations of the meshless local Petrov-Galerkin （MLPG） method are presented for geometrically nonlinear problems. The method requires no mesh in computation and therefore avoids mesh distortion difficulties in the large deformation analysis. The essential boundary conditions in the present formulation axe imposed by a penalty method. An incremental and iterative solution procedure is used to solve geometrically nonlinear problems. Several examples are presented to demonstrate the effectiveness of the method in geometrically nonlinear problems analysis. Numerical results show that the MLPG method is an effective one and that the values of the unknown variable are quite accurate.