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Multi-Material Topology Optimization for Spatial-Varying Porous Structures 被引量:1
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作者 Chengwan Zhang Kai Long +4 位作者 Zhuo Chen Xiaoyu Yang Feiyu Lu Jinhua Zhang Zunyi Duan 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第1期369-390,共22页
This paper aims to propose a topology optimization method on generating porous structures comprising multiple materials.The mathematical optimization formulation is established under the constraints of individual volu... This paper aims to propose a topology optimization method on generating porous structures comprising multiple materials.The mathematical optimization formulation is established under the constraints of individual volume fraction of constituent phase or total mass,as well as the local volume fraction of all phases.The original optimization problem with numerous constraints is converted into a box-constrained optimization problem by incorporating all constraints to the augmented Lagrangian function,avoiding the parameter dependence in the conventional aggregation process.Furthermore,the local volume percentage can be precisely satisfied.The effects including the globalmass bound,the influence radius and local volume percentage on final designs are exploited through numerical examples.The numerical results also reveal that porous structures keep a balance between the bulk design and periodic design in terms of the resulting compliance.All results,including those for irregular structures andmultiple volume fraction constraints,demonstrate that the proposedmethod can provide an efficient solution for multiple material infill structures. 展开更多
关键词 Topology optimization porous structures local volume fraction augmented lagrangian multiple materials
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An origami shield with supporting frame structures optimized by a feature-driven topology optimization method
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作者 Dongsheng Jia Pengcheng Feng +5 位作者 Liangdi Wang Longcan Chen Jun Wang Jihong Zhu Yingjie Xu Weihong Zhang 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第1期447-456,共10页
In this paper,the design,manufacture and testing of an origami protective shield with a supporting frame structure are presented.It consists of an origami shield surface and a deployable supporting frame structure tha... In this paper,the design,manufacture and testing of an origami protective shield with a supporting frame structure are presented.It consists of an origami shield surface and a deployable supporting frame structure that needs to be portable and sufficiently stiff.First,for the design of the shield surface,a threestage origami crease pattern is developed to reduce the shield size in the folded state.The shield surface consists of several stiff modular panels and layered with flexible fabric.The modular panels are made of a multi-layer composite where a ceramic layer is made of small pieces to improve durability as those small pieces enable restriction of crack propagation.Then,the supporting frame structure is designed as a chain-of-bars structure in order to fold into a highly compact state as a bundle of bars and deploy in sequence.Thus,a feature-driven topology structural optimization method preserving component sequence is developed where the inter-dependence of sub-structures is taken into account.A bar with semi-circular ends is used as a basic design feature.The positions of the bar’s end points are treated as design variables and the width of the bars is kept constant.Then,a constraint on the total length of the chain of bars is introduced.Finally,the modular panels made of multi-layer composite and the full-scale prototype of the origami shield are fabricated and tested to verify the bullet-proof performance. 展开更多
关键词 ORIGAMI Deployable structure structure design SHIELD Composite materials
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Emerging Trends in Damage Tolerance Assessment:A Review of Smart Materials and Self-Repairable Structures
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作者 Ali Akbar Firoozi Ali Asghar Firoozi 《Structural Durability & Health Monitoring》 EI 2024年第1期1-18,共18页
The discipline of damage tolerance assessment has experienced significant advancements due to the emergence of smart materials and self-repairable structures.This review offers a comprehensive look into both tradition... The discipline of damage tolerance assessment has experienced significant advancements due to the emergence of smart materials and self-repairable structures.This review offers a comprehensive look into both traditional and innovative methodologies employed in damage tolerance assessment.After a detailed exploration of damage tolerance concepts and their historical progression,the review juxtaposes the proven techniques of damage assessment with the cutting-edge innovations brought about by smart materials and self-repairable structures.The subsequent sections delve into the synergistic integration of smart materials with self-repairable structures,marking a pivotal stride in damage tolerance by establishing an autonomous system for immediate damage identification and self-repair.This holistic approach broadens the applicability of these technologies across diverse sectors yet brings forth unique challenges demanding further innovation and research.Additionally,the review examines future prospects that combine advanced manufacturing processes with data-centric methodologies,amplifying the capabilities of these‘intelligent’structures.The review culminates by highlighting the transformative potential of this union between smart materials and self-repairable structures,promoting a sustainable and efficient engineering paradigm. 展开更多
关键词 Damage tolerance smart materials self-repairable structures structural health monitoring SYNERGY autonomous system advanced manufacturing data-driven methodologies
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Valley transport in Kekulé structures of graphene
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作者 王娟娟 汪军 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期44-53,共10页
Valleytronics is an emergent discipline in condensed matter physics and offers a new way to encode and manipulate information based on the valley degree of freedom in materials. Among the various materials being studi... Valleytronics is an emergent discipline in condensed matter physics and offers a new way to encode and manipulate information based on the valley degree of freedom in materials. Among the various materials being studied, Kekulé distorted graphene has emerged as a promising material for valleytronics applications. Graphene can be artificially distorted to form the Kekulé structures rendering the valley-related interaction. In this work, we review the recent progress of research on Kekulé structures of graphene and focus on the modified electronic bands due to different Kekulé distortions as well as their effects on the transport properties of electrons. We systematically discuss how the valley-related interaction in the Kekulé structures was used to control and affect the valley transport including the valley generation, manipulation, and detection. This article summarizes the current challenges and prospects for further research on Kekulé distorted graphene and its potential applications in valleytronics. 展开更多
关键词 GRAPHENE Y-shaped Kekulé(Y-Kek)lattice distortion structure O-Kekulé(O-Kek)structure valley current
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Band structures of strained kagome lattices
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作者 徐露婷 杨帆 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第2期456-463,共8页
Materials with kagome lattices have attracted significant research attention due to their nontrivial features in energy bands.We theoretically investigate the evolution of electronic band structures of kagome lattices... Materials with kagome lattices have attracted significant research attention due to their nontrivial features in energy bands.We theoretically investigate the evolution of electronic band structures of kagome lattices in response to uniaxial strain using both a tight-binding model and an antidot model based on a periodic muffin-tin potential.It is found that the Dirac points move with applied strain.Furthermore,the flat band of unstrained kagome lattices is found to develop into a highly anisotropic shape under a stretching strain along y direction,forming a partially flat band with a region dispersionless along ky direction while dispersive along kx direction.Our results shed light on the possibility of engineering the electronic band structures of kagome materials by mechanical strain. 展开更多
关键词 kagome lattice STRAIN band structure engineering
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Sandwich structures with tapered tubes as core:A quasi-static investigation
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作者 Xinmei Xiang Dehua Shao +5 位作者 Xin Zhang Umer Sharif Ngoc San Ha Li Xiang Jing Zhang Jiang Yi 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第3期447-462,共16页
In this article,the experimental and finite element analysis is utilized to investigate the quasi-static compression features of sandwich constructions built with tapered tubes.3D printing technology was utilized to c... In this article,the experimental and finite element analysis is utilized to investigate the quasi-static compression features of sandwich constructions built with tapered tubes.3D printing technology was utilized to create the hollow centers of the tapering tubes,with and without corrugations.The results demonstrate that the energy absorption(EA)and specific energy absorption(SEA)of the single corrugated tapered tube sandwich are 51.6% and 19.8% higher,respectively,than those of the conical tube sandwich.Furthermore,the results demonstrate that energy absorbers can benefit from corrugation in order to increase their efficiency.Additionally,the tapered corrugated tubes'resistance to oblique impacts was studied.Compared to a straight tube,the tapered tube is more resistant to oblique loads and has a lower initial peak crushing force(PCF),according to numerical simulations.After conducting a parametric study,it was discovered that the energy absorption performance of the sandwich construction is significantly affected by the amplitude,number of corrugations,and wall thickness.EA and SEA of DTS with corrugation number of 8 increased by 17.4%and 29.6%,respectively,while PCF decreased by 9.2% compared to DTS with corrugation number of 10. 展开更多
关键词 Sandwich structure Corrugated tube Tapered tube QUASI-STATIC Energy absorption
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Web Layout Design of Large Cavity Structures Based on Topology Optimization
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作者 Xiaoqiao Yang Jialiang Sun Dongping Jin 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第3期2665-2689,共25页
Large cavity structures are widely employed in aerospace engineering, such as thin-walled cylinders, blades andwings. Enhancing performance of aerial vehicles while reducing manufacturing costs and fuel consumptionhas... Large cavity structures are widely employed in aerospace engineering, such as thin-walled cylinders, blades andwings. Enhancing performance of aerial vehicles while reducing manufacturing costs and fuel consumptionhas become a focal point for contemporary researchers. Therefore, this paper aims to investigate the topologyoptimization of large cavity structures as a means to enhance their performance, safety, and efficiency. By usingthe variable density method, lightweight design is achieved without compromising structural strength. Theoptimization model considers both concentrated and distributed loads, and utilizes techniques like sensitivityfiltering and projection to obtain a robust optimized configuration. The mechanical properties are checked bycomparing the stress distribution and displacement of the unoptimized and optimized structures under the sameload. The results confirm that the optimized structures exhibit improved mechanical properties, thus offering keyinsights for engineering lightweight, high-strength large cavity structures. 展开更多
关键词 Topology optimization lightweight design web layout design cavity structure
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A Simplified Method for the Stress Analysis of Underground Transfer Structures Crossing Multiple Subway Tunnels
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作者 Shen Yan Dajiang Geng +2 位作者 Ning Dai Mingjian Long Zhicheng Bai 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第6期2893-2915,共23页
According to the design specifications,the construction of extended piles involves traversing the tunnel’s upper region and extending to the underlying rock layer.To address this challenge,a subterranean transfer str... According to the design specifications,the construction of extended piles involves traversing the tunnel’s upper region and extending to the underlying rock layer.To address this challenge,a subterranean transfer structure spanning multiple subway tunnels was proposed.Deliberating on the function of piles in the transfer structure as springs with axial and bending stiffness,and taking into account the force balance and deformation coordination conditions of beams and plates within the transfer structure,we established a simplified mechanical model that incorporates soil stratification by combining it with the Winkler elastic foundation beam model.The resolved established simplifiedmechanicalmodel employed finite difference technology and the Newton-Simpsonmethod,elucidating the mechanical mechanism of the transfer structure.The research findings suggest that the load carried by the upper structural columns can be transferred to the pile foundation beneath the beams through the transfer structure,subsequently reaching the deep soil layer and ensuring minimal impact on adjacent tunnels.The established simplified analysis method can be used for stress analysis of the transfer structure,concurrently considering soil stratification,pile foundation behavior,and plate action.The pile length,pile section size,and beam section size within the transfer structure should account for the characteristics of the upper load,ensuring an even distribution of the beam bending moment. 展开更多
关键词 Crossing tunnels transfer structure force mechanism simplify analysis layered soil mass
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Fault Identification for Shear-Type Structures Using Low-Frequency Vibration Modes
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作者 Cuihong Li Qiuwei Yang Xi Peng 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第3期2769-2791,共23页
Shear-type structures are common structural forms in industrial and civil buildings,such as concrete and steel frame structures.Fault diagnosis of shear-type structures is an important topic to ensure the normal use o... Shear-type structures are common structural forms in industrial and civil buildings,such as concrete and steel frame structures.Fault diagnosis of shear-type structures is an important topic to ensure the normal use of structures.The main drawback of existing damage assessment methods is that they require accurate structural finite element models for damage assessment.However,for many shear-type structures,it is difficult to obtain accurate FEM.In order to avoid finite elementmodeling,amodel-freemethod for diagnosing shear structure defects is developed in this paper.This method only needs to measure a few low-order vibration modes of the structure.The proposed defect diagnosis method is divided into two stages.In the first stage,the location of defects in the structure is determined based on the difference between the virtual displacements derived from the dynamic flexibility matrices before and after damage.In the second stage,damage severity is evaluated based on an improved frequency sensitivity equation.Themain innovations of this method lie in two aspects.The first innovation is the development of a virtual displacement difference method for determining the location of damage in the shear structure.The second is to improve the existing frequency sensitivity equation to calculate the damage degree without constructing the finite elementmodel.Thismethod has been verified on a numerical example of a 22-story shear frame structure and an experimental example of a three-story steel shear structure.Based on numerical analysis and experimental data validation,it is shown that this method only needs to use the low-order modes of structural vibration to diagnose the defect location and damage degree,and does not require finite element modeling.The proposed method should be a very simple and practical defect diagnosis technique in engineering practice. 展开更多
关键词 Fault diagnosis shear steel structure vibration mode dynamic flexibility frequency sensitivity
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Ballistic performances of the hourglass lattice sandwich structures under high-velocity fragments
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作者 He-xiang Wu Jia Qu Lin-zhi Wu 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第1期312-325,共14页
In this paper,the numerical simulation method is used to study the ballistic performances of hourglass lattice sandwich structures with the same mass under the vertical incidence of fragments.Attention is paid to eluc... In this paper,the numerical simulation method is used to study the ballistic performances of hourglass lattice sandwich structures with the same mass under the vertical incidence of fragments.Attention is paid to elucidating the influences of rod cross-section dimensions,structure height,structure layer,and rod inclination angle on the deformation mode,ballistic performances,and ability to change the ballistic direction of fragments.The results show that the ballistic performances of hourglass lattice sandwich structures are mainly affected by their structural parameters.In this respect,structural parameters optimization of the hourglass lattice sandwich structures enable one to effectively improve their ballistic limit velocity and,consequently,ballistic performances. 展开更多
关键词 Hourglass lattice sandwich structures Ballistic performances high-velocity Finite element analysis
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Nano-Au-decorated hierarchical porous cobalt sulfide derived from ZIF-67 toward optimized oxygen evolution catalysis:Important roles of microstructures and electronic modulation
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作者 Hongyu Gong Guanliang Sun +6 位作者 Wenhua Shi Dongwei Li Xiangjun Zheng Huan Shi Xiu Liang Ruizhi Yang Changzhou Yuan 《Carbon Energy》 SCIE EI CAS CSCD 2024年第5期1-14,共14页
Enhancing both the number of active sites available and the intrinsic activity of Co-based electrocatalysts simultaneously is a desirable goal.Herein,a ZIF-67-derived hierarchical porous cobalt sulfide decorated by Au... Enhancing both the number of active sites available and the intrinsic activity of Co-based electrocatalysts simultaneously is a desirable goal.Herein,a ZIF-67-derived hierarchical porous cobalt sulfide decorated by Au nanoparticles(NPs)(denoted as HP-Au@CoxSy@ZIF-67)hybrid is synthesized by low-temperature sulfuration treatment.The well-defined macroporous-mesoporous-microporous structure is obtained based on the combination of polystyrene spheres,as-formed CoxSy nanosheets,and ZIF-67 frameworks.This novel three-dimensional hierarchical structure significantly enlarges the three-phase interfaces,accelerating the mass transfer and exposing the active centers for oxygen evolution reaction.The electronic structure of Co is modulated by Au through charge transfer,and a series of experiments,together with theoretical analysis,is performed to ascertain the electronic modulation of Co by Au.Meanwhile,HP-Au@CoxSy@ZIF-67 catalysts with different amounts of Au were synthesized,wherein Au and NaBH4 reductant result in an interesting“competition effect”to regulate the relative ratio of Co^(2+)/Co^(3+),and moderate Au assists the electrochemical performance to reach the highest value.Consequently,the optimized HP-Au@CoxSy@ZIF-67 exhibits a low overpotential of 340 mV at 10 mA cm^(-2)and a Tafel slope of 42 mV dec-1 for OER in 0.1 M aqueous KOH,enabling efficient water splitting and Zn-air battery performance.The work here highlights the pivotal roles of both microstructural and electronic modulation in enhancing electrocatalytic activity and presents a feasible strategy for designing and optimizing advanced electrocatalysts. 展开更多
关键词 Au nanoparticles cobalt sulfide electronic modulation hierarchical porous structure oxygen evolution reaction
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Influence of manufacturing process-induced geometrical defects on the energy absorption capacity of polymer lattice structures
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作者 Alexandre Riot Enrico Panettieri +1 位作者 Antonio Cosculluela Marco Montemurro 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第5期47-59,共13页
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 r... 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. 展开更多
关键词 Lattice structures Architected cellular materials Dynamic simulation Energy absorption Geometrical imperfection Additive manufacturing
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Ultrafast dynamics of femtosecond laser-induced high spatial frequency periodic structures on silicon surfaces
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作者 Ruozhong Han Yuchan Zhang +6 位作者 Qilin Jiang Long Chen Kaiqiang Cao Shian Zhang Donghai Feng Zhenrong Sun Tianqing Jia 《Opto-Electronic Science》 2024年第3期33-46,共14页
Femtosecond laser-induced periodic surface structures(LIPSS)have been extensively studied over the past few decades.In particular,the period and groove width of high-spatial-frequency LIPSS(HSFL)is much smaller than t... Femtosecond laser-induced periodic surface structures(LIPSS)have been extensively studied over the past few decades.In particular,the period and groove width of high-spatial-frequency LIPSS(HSFL)is much smaller than the diffraction limit,making it a useful method for efficient nanomanufacturing.However,compared with the low-spatial-frequency LIPSS(LSFL),the structure size of the HSFL is smaller,and it is more easily submerged.Therefore,the formation mechanism of HSFL is complex and has always been a research hotspot in this field.In this study,regular LSFL with a period of 760 nm was fabricated in advance on a silicon surface with two-beam interference using an 800 nm,50 fs femtosecond laser.The ultrafast dynamics of HSFL formation on the silicon surface of prefabricated LSFL under single femtosecond laser pulse irradiation were observed and analyzed for the first time using collinear pump-probe imaging method.In general,the evolution of the surface structure undergoes five sequential stages:the LSFL begins to split,becomes uniform HSFL,degenerates into an irregular LSFL,undergoes secondary splitting into a weakly uniform HSFL,and evolves into an irregular LSFL or is submerged.The results indicate that the local enhancement of the submerged nanocavity,or the nanoplasma,in the prefabricated LSFL ridge led to the splitting of the LSFL,and the thermodynamic effect drove the homogenization of the splitting LSFL,which evolved into HSFL. 展开更多
关键词 laser-induced periodic surface structures(LIPSS) local field enhancement collinear pump-probe imaging silicon high spatial frequency periodic structures
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A review on the multi-scaled structures and mechanical/thermal properties of tool steels fabricated by laser powder bed fusion additive manufacturing
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作者 Huajing Zong Nan Kang +1 位作者 Zehao Qin Mohamed El Mansori 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2024年第5期1048-1071,共24页
The laser powder bed fusion(LPBF) process can integrally form geometrically complex and high-performance metallic parts that have attracted much interest,especially in the molds industry.The appearance of the LPBF mak... The laser powder bed fusion(LPBF) process can integrally form geometrically complex and high-performance metallic parts that have attracted much interest,especially in the molds industry.The appearance of the LPBF makes it possible to design and produce complex conformal cooling channel systems in molds.Thus,LPBF-processed tool steels have attracted more and more attention.The complex thermal history in the LPBF process makes the microstructural characteristics and properties different from those of conventional manufactured tool steels.This paper provides an overview of LPBF-processed tool steels by describing the physical phenomena,the microstructural characteristics,and the mechanical/thermal properties,including tensile properties,wear resistance,and thermal properties.The microstructural characteristics are presented through a multiscale perspective,ranging from densification,meso-structure,microstructure,substructure in grains,to nanoprecipitates.Finally,a summary of tool steels and their challenges and outlooks are introduced. 展开更多
关键词 additive manufacturing laser powder bed fusion tool steel multi-scaled structure mechanical properties thermal properties
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Full-Scale Isogeometric Topology Optimization of Cellular Structures Based on Kirchhoff-Love Shells
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作者 Mingzhe Huang Mi Xiao +3 位作者 Liang Gao Mian Zhou Wei Sha Jinhao Zhang 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第6期2479-2505,共27页
Cellular thin-shell structures are widely applied in ultralightweight designs due to their high bearing capacity and strength-to-weight ratio.In this paper,a full-scale isogeometric topology optimization(ITO)method ba... Cellular thin-shell structures are widely applied in ultralightweight designs due to their high bearing capacity and strength-to-weight ratio.In this paper,a full-scale isogeometric topology optimization(ITO)method based on Kirchhoff-Love shells for designing cellular tshin-shell structures with excellent damage tolerance ability is proposed.This method utilizes high-order continuous nonuniform rational B-splines(NURBS)as basis functions for Kirchhoff-Love shell elements.The geometric and analysis models of thin shells are unified by isogeometric analysis(IGA)to avoid geometric approximation error and improve computational accuracy.The topological configurations of thin-shell structures are described by constructing the effective density field on the controlmesh.Local volume constraints are imposed in the proximity of each control point to obtain bone-like cellular structures.To facilitate numerical implementation,the p-norm function is used to aggregate local volume constraints into an equivalent global constraint.Several numerical examples are provided to demonstrate the effectiveness of the proposed method.After simulation and comparative analysis,the results indicate that the cellular thin-shell structures optimized by the proposed method exhibit great load-carrying behavior and high damage robustness. 展开更多
关键词 Cellular thin-shell structures isogeometric analysis full-scale topology optimization Kirchhoff–Love shells
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Research on Early Warning of Banking Crises from the Perspective of Credit Structures
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作者 Zhou Yuqin Luo Zixuan Wu Shan 《Contemporary Social Sciences》 2024年第3期45-63,共19页
The relationship between credit expansion and banking crises is complex and cannot be fully explained by total credit alone.A systematic analysis of the relationship between the amount and structure of total credit an... The relationship between credit expansion and banking crises is complex and cannot be fully explained by total credit alone.A systematic analysis of the relationship between the amount and structure of total credit and banking crises is important for an objective prediction of the influence of potential financial risks.This paper,drawing on data from 15 selected countries,delves into the power of credit indicators in the early warning of banking crises from the perspectives of industrial structure,sector structure,and term structure of credit.Various machine learning methods were used,including Logistic Regression,Random Forest,Decision Tree,Support Vector Machine(SVM),Bagging,and Boosting models.The empirical findings indicate that credit expansion plays a crucial role in triggering banking crises.However,total credit is better suited for the early warning of short-term banking crises,whereas credit structure is more useful for the early warning of long-term banking crises.Moreover,in an early warning system,identifying key early warning indicators is more meaningful than merely increasing the number of indicators.Machine learning can somewhat enhance the early warning power,but it may not always be robust.Therefore,more attention should be paid to potential systemic banking crises resulting from an imbalance in credit structure while regulating the total credit threshold. 展开更多
关键词 banking crises credit expansion transnational empirical evidence structural perspective
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Mechanical Properties and Electronic Structures of M(M=Ti,V,Cr,Mn and Fe)Dopedβ-Si_(3)N_(4) from First-Principle
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作者 龙敏 黄福祥 +4 位作者 XU Liangyu LI Xuemei YANG Zhou LENG Yue MEI Shini 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2024年第3期639-644,共6页
The structures,mechanical properties and electronic structures of M metals(M=Ti,V,Cr,Mn and Fe)dopedβ-Si_(3)N_(4) were investigated by First-principles calculations within CASTEP.The calculated lattice parameters of... The structures,mechanical properties and electronic structures of M metals(M=Ti,V,Cr,Mn and Fe)dopedβ-Si_(3)N_(4) were investigated by First-principles calculations within CASTEP.The calculated lattice parameters ofβ-Si_(3)N_(4) were consistent with previous date.The cohesive energy and formation enthalpy show that initialβ-Si_(3)N_(4) has the highest structural stability.The calculated elastic constant and the Voigt-Reuss-Hill approximation indicate that elastic moduli ofβ-Si_(3)N_(4) are slightly reduced by M doping.Based on Poisson’s and Pugh’s ratio,β-Si_(3)N_(4) is a ductile material and the toughness ofβ-Si_(3)N_(4) increases with M doping,and Fe doping exhibited the best toughness.The results of density of states,charge distributions and overlapping populations indicate thatβ-Si_(3)N_(4) has the strong covalent and ionic bond strength between N and Si. 展开更多
关键词 first-principles β-Si_(3)N_(4) mechanical properties electronic structure
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Design Strategies for Aqueous Zinc Metal Batteries with High Zinc Utilization: From Metal Anodes to Anode-Free Structures
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作者 Xianfu Zhang Long Zhang +2 位作者 Xinyuan Jia Wen Song Yongchang Liu 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第4期305-349,共45页
Aqueous zinc metal batteries(AZMBs)are promising candidates for next-generation energy storage due to the excellent safety, environmental friendliness, natural abundance, high theoretical specific capacity, and low re... Aqueous zinc metal batteries(AZMBs)are promising candidates for next-generation energy storage due to the excellent safety, environmental friendliness, natural abundance, high theoretical specific capacity, and low redox potential of zinc(Zn) metal. However,several issues such as dendrite formation, hydrogen evolution, corrosion, and passivation of Zn metal anodes cause irreversible loss of the active materials. To solve these issues, researchers often use large amounts of excess Zn to ensure a continuous supply of active materials for Zn anodes. This leads to the ultralow utilization of Zn anodes and squanders the high energy density of AZMBs. Herein, the design strategies for AZMBs with high Zn utilization are discussed in depth, from utilizing thinner Zn foils to constructing anode-free structures with theoretical Zn utilization of 100%, which provides comprehensive guidelines for further research. Representative methods for calculating the depth of discharge of Zn anodes with different structures are first summarized. The reasonable modification strategies of Zn foil anodes, current collectors with pre-deposited Zn, and anode-free aqueous Zn metal batteries(AF-AZMBs) to improve Zn utilization are then detailed. In particular, the working mechanism of AF-AZMBs is systematically introduced. Finally, the challenges and perspectives for constructing high-utilization Zn anodes are presented. 展开更多
关键词 Aqueous zinc metal batteries Zinc anodes High zinc utilization Depth of discharge Anode-free structures
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Aseismic performances of constrained damping lining structures made of rubber-sand-concrete
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作者 Xiancheng Mei Qian Sheng +4 位作者 Jian Chen Zhen Cui Jianhe Li Chuanqi Li Daniel Dias 《Journal of Rock Mechanics and Geotechnical Engineering》 SCIE CSCD 2024年第5期1522-1537,共16页
Flexible damping technology considering aseismic materials and aseismic structures seems be a good solution for engineering structures.In this study,a constrained damping structure for underground tunnel lining,using ... Flexible damping technology considering aseismic materials and aseismic structures seems be a good solution for engineering structures.In this study,a constrained damping structure for underground tunnel lining,using a rubber-sand-concrete(RSC)as the aseismic material,is proposed.The aseismic performances of constrained damping structure were investigated by a series of hammer impact tests.The damping layer thickness and shape effects on the aseismic performance such as effective duration and acceleration amplitude of time-domain analysis,composite loss factor and damping ratio of the transfer function analysis,and total vibration level of octave spectrum analysis were discussed.The hammer impact tests revealed that the relationship between the aseismic performance and damping layer thickness was not linear,and that the hollow damping layer had a better aseismic performance than the flat damping layer one.The aseismic performances of constrained damping structure under different seismicity magnitudes and geological conditions were investigated.The effects of the peak ground acceleration(PGA)and tunnel overburden depth on the aseismic performances such as the maximum principal stress and equivalent plastic strain(PEEQ)were discussed.The numerical results show the constrained damping structure proposed in this paper has a good aseismic performance,with PGA in the range(0.2-1.2)g and tunnel overburden depth in the range of 0-300 m. 展开更多
关键词 Constrained damping structure Aseismic performance Hammer impact tests Damping layer Peak ground acceleration Overburden depth
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Geometries and electronic structures of Zr_(n)Cu(n=2–12) clusters: A joint machine-learning potential density functional theory investigation
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作者 王一志 崔秀花 +3 位作者 刘静 井群 段海明 曹海宾 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期595-602,共8页
Zr-based amorphous alloys have attracted extensive attention because of their large glassy formation ability, wide supercooled liquid region, high elasticity, and unique mechanical strength induced by their icosahedra... Zr-based amorphous alloys have attracted extensive attention because of their large glassy formation ability, wide supercooled liquid region, high elasticity, and unique mechanical strength induced by their icosahedral local structures.To determine the microstructures of Zr–Cu clusters, the stable and metastable geometry of Zr_(n)Cu(n=2–12) clusters are screened out via the CALYPSO method using machine-learning potentials, and then the electronic structures are investigated using density functional theory. The results show that the Zr_(n)Cu(n ≥ 3) clusters possess three-dimensional geometries, Zr_(n)Cu(n≥9) possess cage-like geometries, and the Zr_(12)Cu cluster has icosahedral geometry. The binding energy per atom gradually gets enlarged with the increase in the size of the clusters, and Zr_(n)Cu(n=5,7,9,12) have relatively better stability than their neighbors. The magnetic moment of most Zr_(n)Cu clusters is just 1μB, and the main components of the highest occupied molecular orbitals(HOMOs) in the Zr_(12)Cu cluster come from the Zr-d state. There are hardly any localized two-center bonds, and there are about 20 σ-type delocalized three-center bonds. 展开更多
关键词 geometries and electronic structures magnetic and chemical bonds machine learning potentials Zr–Cu clusters
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