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Optimized Biological Texture Design,Frictional Anisotropy,Puncture/Wear Resistance and Strength of Conglobated and Non-conglobated Ceratocanthus Beetle Elytra
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作者 Vivek Kashyap Nicola Maria Pugno 《Journal of Bionic Engineering》 2025年第5期2561-2582,共22页
Surface morphology of Ceratocanthus beetle elytra was investigated for spike surface texture and its geometry using Scanning Electron Microscopy(SEM).Material properties were analyzed for both surface and cross-sectio... Surface morphology of Ceratocanthus beetle elytra was investigated for spike surface texture and its geometry using Scanning Electron Microscopy(SEM).Material properties were analyzed for both surface and cross-section of elytra using nano-indentation technique.The spike texture was significantly rigid compared with the non-textured zone;a bi-layer system of E and H was identified at the elytra cross-section.Normal load acting on spike texture during free-fall conditions was estimated analytically and deflection equation was derived.The design of spike texture with conical base was studied for minimization of deflection and volume using the Non-dominated Sorting Genetic Algorithm(NSGA-II)optimization technique,confirming the smart design of the natural solution.The frictional behavior of elytra was studied using fundamental tribology test and the role of the oriented spike texture was investigated for frictional anisotropy.Compression resistance of full beetle was evaluated for both conglobated and non-conglobated configuration and tensile strengths were compared using Brazilian test.Puncture and wear resistance of full elytra were characterized and correlated with its defense mechanism. 展开更多
关键词 Ceratocanthinae beetle ELYTRA Surface texture Friction design optimization Puncture-resistance
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High-Speed,High-Power Motor Design for a Four-Legged Robot Actuator Optimized using the Weighted Sum and Response Surface Methods 被引量:4
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作者 Tae-Woo Lee Do-Kwan Hong Tae-Uk Jung 《CES Transactions on Electrical Machines and Systems》 CSCD 2021年第3期224-231,共8页
In this paper,a design is presented for a high-speed,high-power motor for a four-legged robot actuator that was optimized using the weighted sum method(WSM)based on the Taguchi method,and the response surface method(R... In this paper,a design is presented for a high-speed,high-power motor for a four-legged robot actuator that was optimized using the weighted sum method(WSM)based on the Taguchi method,and the response surface method(RSM).First,output torque,torque constant,torque ripple,and efficiency were selected as objective functions for the optimized design.The sampling method was implemented to use a mixed orthogonal array and the single response characteristics of each objective function were compared using the Taguchi method.Moreover,to consider the multi-response characteristic of the objective functions,WSM was applied.Second,the 2D finite element analysis result of the RSM was compared with that using the WSM.Finally,an experiment was carried out on the manufactured motor and the optimized model is presented here. 展开更多
关键词 Four-legged robot Multiphysics analysis optimized design Surface mounted permanent magnet synchronous motor
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Failure mechanism of pump chambers and their optimized design in deep mining at Qishan Coal Mine 被引量:1
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作者 SUN Xiaoming WU Chuangzhou CAI Feng 《Mining Science and Technology》 EI CAS 2010年第6期825-830,共6页
Pump chambers, normally used as dominant structures in mining engineering to insure the safety and production of un-derground coal mines, become generally deformed under conditions of deep mining. Given the geology an... Pump chambers, normally used as dominant structures in mining engineering to insure the safety and production of un-derground coal mines, become generally deformed under conditions of deep mining. Given the geology and engineering condition of Qishan Coal Mine in Xuzhou, the failure characteristics of pump chambers at the –1000 m level show that the main cause can be attributed to the spatial effect induced by intersectional chambers, where one pump is constructed per well. We developed an opti-mized design of the pump room, in which the pump wells in the traditional design are integrated into one compounding well. We suggest that the new design can limit the spatial effect of intersectional chambers during construction given our relevant numerical simulation. The new design is able to simplify the structure of the pump chamber and reduce the amount of excavation required. Based on a bolt-mesh-anchor with a rigid gap coupling supporting technology, the stability of pump chamber can be improved greatly. 展开更多
关键词 deep mining pump chambers failure mechanism numerical simulation optimized design
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An Optimized Structure Design of the HT-7U Vacuum Vessel 被引量:1
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作者 姚达毛 宋云涛 +3 位作者 杜世俊 吴维越 武松涛 何也熙 《Plasma Science and Technology》 SCIE EI CAS CSCD 2001年第4期865-870,共6页
The vacuum vessel of the HT-7U superconducting tokamak will be a fully-welded structure with a double-wall. The space between the double-wall will be filled with borated water for neutron shielding. Non-circular cross... The vacuum vessel of the HT-7U superconducting tokamak will be a fully-welded structure with a double-wall. The space between the double-wall will be filled with borated water for neutron shielding. Non-circular cross-section is designed for plasma elongating. Horizontal and vertical ports are designed for diagnosing, vacuum pumping, plasma heating and plasma current driving, etc. The vacuum vessel consists of 16 segments. It will be baked out at 250℃ to obtain a clean wall. When the machine is in operation, both the hot wall (the wall temperature is around 100℃) and the cold wall (wall temperature is in normal equilibrium) are considered. The stress caused by thermal deformation and the electromagnetic (EM) loads caused by 1.5 MA plasma disruption in 3.5 T magnetic field have to be taken into account in the design of the HT-7U vacuum vessel Finite element method was employed for structure analysis of the vacuum vessel. 展开更多
关键词 An optimized Structure design of the HT-7U Vacuum Vessel design HT
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Optimized Design for the Plow of a Submarine Plowing Trencher 被引量:1
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作者 Hanyang Gong Ruhua Yuan +3 位作者 Xiaodong Xing Liquan Wang Zhipeng Wang Haixia Gong 《Journal of Marine Science and Application》 2013年第1期98-105,共8页
The plow of the submarine plowing trencher is one of the main functional mechanisms, and its optimization is very important. The design parameters play a very significant role in determining the requirements of the to... The plow of the submarine plowing trencher is one of the main functional mechanisms, and its optimization is very important. The design parameters play a very significant role in determining the requirements of the towing force of a vessel. A multi-objective genetic algorithm based on analytical models of the plow surface has been examined and applied in efforts to obtain optimal design of the plow. For a specific soil condition, the draft force and moldboard surface area which are the key parameters in the working process of the plow are optimized by finding the corresponding optimal values of the plow blade penetration angle and two surface angles of the main cutting blade of the plow. Parameters such as the moldboard side angle of deviation, moldboard lift angle, angular variation of the tangent line, and the spanning length are also analyzed with respect to the force of the moldboard surface along soil flow direction. Results show that the optimized plow has an improved plow performance. The draft forces of the main cutting blade and the moldboard are 10.6% and 7%, respectively, less than the original design. The standard deviation of Gaussian curvature of moldboard is lowered by 64.5%, which implies that the smoothness of the optimized moldboard surface is much greater than the original. 展开更多
关键词 submarine plowing trencher moldboard surface plow surface optimized design multi-objective genetic algorithm surface smoothness
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A VIRTUAL MESH METHOD FOR THE OPTIMIZED DESIGN OF COMPLEX STRUCTURES
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作者 Du Taisheng Huang Rongjie Song Tianxia Chen Chuanyao (College of Civil Engineering and Mechanics,Huazhong University of Science and Technology,Wuhan 430074,China) 《Acta Mechanica Solida Sinica》 SCIE EI 2003年第3期220-230,共11页
Concepts for a virtual 3D space and a hyper-sphere are proposed and the formulae for determining the computable nodes of the mesh are derived.Then a new optimization design method('Virtual Mesh Method'or V.M.M... Concepts for a virtual 3D space and a hyper-sphere are proposed and the formulae for determining the computable nodes of the mesh are derived.Then a new optimization design method('Virtual Mesh Method'or V.M.M)is developed.Three examples are given,showing that the method proposed is especially suitable for the optimized design of complex structures,and that the global approximate optimal solution can be searched with remarkably reduced computational work. 展开更多
关键词 virtual 3D space computable nodes n-D hyper-sphere optimization design virtual mesh method
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Seismic effectiveness evaluation and optimized design of tie up method for securing museum collections
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作者 Wang Meng Yan Yi +3 位作者 Yang Weiguo Liu Pei Ge Jiaqi Ma Botao 《Earthquake Engineering and Engineering Vibration》 SCIE EI CSCD 2024年第3期741-763,共23页
To quantify the seismic effectiveness of the most commonly used fishing line tie up method for securing museum collections and optimize fixed strategies for exhibitions,shaking table tests of the seismic systems used ... To quantify the seismic effectiveness of the most commonly used fishing line tie up method for securing museum collections and optimize fixed strategies for exhibitions,shaking table tests of the seismic systems used for typical museum collection replicas have been carried out.The influence of body shape and fixed measure parameters on the seismic responses of replicas and the interaction behavior between replicas and fixed measures have been explored.Based on the results,seismic effectiveness evaluation indexes of the tie up method are proposed.Reasonable suggestions for fixed strategies are given,which provide a basis for the exhibition of delicate museum collections considering the principle of minimizing seismic responses and intervention.The analysis results show that a larger ratio of height of mass center to bottom diameter led to more intense rocking responses.Increasing the initial pretension of fishing lines was conducive to reducing the seismic responses and stress variation of the lines.Through comprehensive consideration of the interaction forces and effective securement,it is recommended to apply 20%of breaking stress as the initial pretension.For specific museum collections that cannot be effectively protected by the independent tie up method,an optimized strategy of a combination of fishing lines and fasteners is recommended. 展开更多
关键词 tie up method museum collections shaking table test seismic effectiveness optimized design
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An Analysis of the Kinetic Features of Scissor Elevator Mechanism and Its Optimized Design
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作者 刘涛 孙以泽 《Journal of Donghua University(English Edition)》 EI CAS 2010年第1期109-112,共4页
A mathematical model has been established for the research on scissor elevator for ship passenger stairs.The kinematical and kinetic simulation analyses were carried out with MATLAB/Simulink.The relative kinetic relat... A mathematical model has been established for the research on scissor elevator for ship passenger stairs.The kinematical and kinetic simulation analyses were carried out with MATLAB/Simulink.The relative kinetic relation between hydraulic cylinder and other parts,as well as its rules of change has been found.A 3-D model of ship scissor elevator was established with Pro/E.The design of the mechanism was optimized in Pro/MECHANICA based on the findings from simulation analysis.Practice has proved that the design is scientific and reasonable and could serve as the theoretical guidance and reference for the design of scissor mechanism of other uses. 展开更多
关键词 mechanical engineering scissor elevator mechanism SIMULATION optimized design
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The optimized design of a double-layer flow chamber
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作者 Ye ZENG,Yi LAI,Bing MAO,Ting GAO,Xiaoheng LIU(Institute of Biomedical Engineering,West China Medical Center,Sichuan University,Chengdu,610041) 《医用生物力学》 EI CAS CSCD 2009年第S1期115-115,共1页
Introduction Blood flow provides a mechanical condition for blood cells and vessels,especially for endothelial cells.It is important to understand the mechanical characteristics of
关键词 FLOW The optimized design of a double-layer flow chamber
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Optimized Simulation Design of Double Glass Curtain Wall Shading System in Hot Summer and Cold Winter Zone
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作者 Li-Sha He Lin-Sen Mu Jie Shen 《Journal of Harbin Institute of Technology(New Series)》 EI CAS 2014年第5期66-71,共6页
The glass curtain wall is widely favored by the owners for its good appearance modeling efthct. In using process, however, excessive energy consumption, low level indoor eomtort and other problems of glass curtain wal... The glass curtain wall is widely favored by the owners for its good appearance modeling efthct. In using process, however, excessive energy consumption, low level indoor eomtort and other problems of glass curtain wall are often exposed. Aiming at office buildings in hot Summer and cold Winter zone, taking the optimization of thermal comfort of double glass curtain wall in the summer and the reduetion of building energy consumption throughout the year as the breakthrough point, using the method of energy simulation analysis, through changing the size of internal shading component in the simulated room, this paper analyzes and summarizes the variation law of its energy consumption value, to explore the relatively reasonable design plan of shading systems of the building with glass curtain wall. 展开更多
关键词 rdouble glass curtain wall building energy efficiency optimized simulation design
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Research on Multi-Level Automatic Filling Optimization Design Method for Layered Cross-Sectional Layout of Umbilical 被引量:1
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作者 YIN Xu FAN Zhi-rui +4 位作者 CAO Dong-hui LIU Yu-jie LI Meng-shu YAN Jun YANG Zhi-xun 《China Ocean Engineering》 2025年第5期891-903,共13页
The umbilical,a key component in offshore energy extraction,plays a vital role in ensuring the stable operation of the entire production system.The extensive variety of cross-sectional components creates highly comple... The umbilical,a key component in offshore energy extraction,plays a vital role in ensuring the stable operation of the entire production system.The extensive variety of cross-sectional components creates highly complex layout combinations.Furthermore,due to constraints in component quantity and geometry within the cross-sectional layout,filler bodies must be incorporated to maintain cross-section performance.Conventional design approaches based on manual experience suffer from inefficiency,high variability,and difficulties in quantification.This paper presents a multi-level automatic filling optimization design method for umbilical cross-sectional layouts to address these limitations.Initially,the research establishes a multi-objective optimization model that considers compactness,balance,and wear resistance of the cross-section,employing an enhanced genetic algorithm to achieve a near-optimal layout.Subsequently,the study implements an image processing-based vacancy detection technique to accurately identify cross-sectional gaps.To manage the variability and diversity of these vacant regions,the research introduces a multi-level filling method that strategically selects and places filler bodies of varying dimensions,overcoming the constraints of uniform-size fillers.Additionally,the method incorporates a hierarchical strategy that subdivides the complex cross-section into multiple layers,enabling layer-by-layer optimization and filling.This approach reduces manufac-turing equipment requirements while ensuring practical production process feasibility.The methodology is validated through a specific umbilical case study.The results demonstrate improvements in compactness,balance,and wear resistance compared with the initial cross-section,offering novel insights and valuable references for filler design in umbilical cross-sections. 展开更多
关键词 UMBILICAL cross-sectional layout multi-level filling layered layout optimization design
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An optimal design of the liquid-cooling plate channel in a power battery based on response surface methodology
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作者 Jinbo Zheng Jibin Jiang +2 位作者 Xiwei Yu Bingjun Yan Guofu Lian 《中国科学技术大学学报》 北大核心 2025年第2期52-65,51,I0002,共16页
The work takes a new liquid-cooling plate in a power battery with pin fins inside the channel as the object.A mathematical model is established via the central composite design of the response surface to study the rel... The work takes a new liquid-cooling plate in a power battery with pin fins inside the channel as the object.A mathematical model is established via the central composite design of the response surface to study the relationships among the length,width,height,and spacing of pin fins;the maximum temperature and temperature difference of the battery module;and the pressure drop of the liquid-cooling plate.Model accuracy is verified via variance analysis.The new liquid-cooling plate enables the power battery to work within an optimal temperature range.Appropriately increasing the length,width,and height and reducing the spacing of pin fins could reduce the temperature of the power battery module and improve the temperature uniformity.However,the pressure drop of the liquid-cooling plate increases.The structural parameters of the pin fins are optimized to minimize the maximum temperature and the temperature difference of the battery module as well as the pressure drop of the liquid-cooling plate.The errors between the values predicted and actual by the simulation test are 0.58%,4%,and 0.48%,respectively,which further verifies the model accuracy.The results reveal the influence of the structural parameters of the pin fins inside the liquid-cooling plate on its heat dissipation performance and pressure drop characteristics.A theoretical basis is provided for the design of liquid-cooling plates in power batteries and the optimization of structural parameters. 展开更多
关键词 response surface methodology power battery cooling channel optimal design
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Energy Efficiency Operating Indicator Forecasting and Speed Design Optimization for Polar Ice Class Merchant Vessels
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作者 LU Yu LI Chen−ran +3 位作者 ZHU Xiang−hang LI Shi−an GU Zhu−hao LIU She−wen 《船舶力学》 北大核心 2025年第6期901-911,共11页
In order to accurately forecast the main engine fuel consumption and reduce the Energy Efficiency Operational Indicator(EEOI)of merchant ships in polar ice areas,the energy transfer relationship between ship-machine-p... In order to accurately forecast the main engine fuel consumption and reduce the Energy Efficiency Operational Indicator(EEOI)of merchant ships in polar ice areas,the energy transfer relationship between ship-machine-propeller is studied by analyzing the complex force situation during ship navigation and building a MATLAB/Simulink simulation platform based on multi-environmental resistance,propeller efficiency,main engine power,fuel consumption,fuel consumption rate and EEOI calculation module.Considering the environmental factors of wind,wave and ice,the route is divided into sections,the calculation of main engine power,main engine fuel consumption and EEOI for each section is completed,and the speed design is optimized based on the simulation model for each section.Under the requirements of the voyage plan,the optimization results show that the energy efficiency operation index of the whole route is reduced by 3.114%and the fuel consumption is reduced by 9.17 t. 展开更多
关键词 Energy Efficiency Operational Indicator ice-class ships segment division design optimization
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Mathematical Models of Scallop Locomotion and Optimal Design of Scallop-Inspired Robot
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作者 Yumo Wang Jiajun Xu +4 位作者 Jiazu Zhou Xiayu Tao Ziwei Yin Tianyu Gao Wentao Sheng 《Journal of Bionic Engineering》 2025年第2期805-821,共17页
Underwater jet propulsion bio-inspired robots have typically been designed based on soft-bodied organisms, exhibiting relatively limited forms of locomotion. Scallop, a bivalve organism capable of jet propulsion, hold... Underwater jet propulsion bio-inspired robots have typically been designed based on soft-bodied organisms, exhibiting relatively limited forms of locomotion. Scallop, a bivalve organism capable of jet propulsion, holds significant importance in the study of underwater motion mechanisms. In this study, we present theoretical fluid mechanics analysis and modeling of the three distinct motion stages of scallops, providing parameterized descriptions of scallop locomotion mechanisms. Accordingly, three-stage adaptive motion control for the scallop robot and model-based robot configuration optimization design were achieved. An experimental platform and a robot prototype were built to validate the accuracy of the motion model and the effectiveness of the control strategy. Additionally, based on the models, future optimization directions for the robot are proposed. 展开更多
关键词 Locomotion Models Scallop Robot Swimming Speed Experimental Validation Optimization design
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Design and optimization of origami-inspired inflatable deployable tubular structures
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作者 Bo QIN Shengnan LYU +1 位作者 Shiwei LIU Xilun DING 《Chinese Journal of Aeronautics》 2025年第3期645-661,共17页
Inflatable deployable structures inspired by origami have significant applications in space missions such as solar arrays and antennas.In this paper,a generalized Miura-ori tubular cell(GMTC)is presented as the basic ... Inflatable deployable structures inspired by origami have significant applications in space missions such as solar arrays and antennas.In this paper,a generalized Miura-ori tubular cell(GMTC)is presented as the basic cell to design a family of inflatable origami tubular structures with the targeted configuration.First,the classification of rigid foldable degree-4 vertices is studied thoroughly.Since the proposed GMTC is comprised of forming units(FU)and linking units(LU),types of FUs and LUs are investigated based on the classification of degree-4 vertices,respectively.The rigid foldability of the GMTC is presented by studying the kinematics of the FUs and LUs.Volume of the GMTC is analyzed to investigate multistable configurations of the basic cell.The variations in volume of the GMTC offer great potential for developing the inflatable tubular structure.Design method and parametric optimization of the tubular structure with targeted configuration are proposed.The feasibility of the approach is validated by the approximation of four different cases,namely parabolic,semicircular,trapezoidal,and straight-arc hybrid tubular structures. 展开更多
关键词 Rigid origamil Inflatable deployable structure Variable volume Multistable configuration Parametric optimization design
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Multi-objective optimal design of asymmetric base-isolated structures using NSGA-Ⅱ algorithm for improving torsional resistance
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作者 Zhang Jiayu Qi Ai Yang Mianyue 《Earthquake Engineering and Engineering Vibration》 2025年第3期811-825,共15页
Finding an optimal isolator arrangement for asymmetric structures using traditional conceptual design methods that can significantly minimize torsional response while ensuring efficient horizontal seismic isolation is... Finding an optimal isolator arrangement for asymmetric structures using traditional conceptual design methods that can significantly minimize torsional response while ensuring efficient horizontal seismic isolation is cumbersome and inefficient.Thus,this work develops a multi-objective optimization method to enhance the torsional resistance of asymmetric base-isolated structures.The primary objective is to simultaneously minimize the interstory rotation of the superstructure,the rotation of the isolation layer,and the interstory displacement of the superstructure without exceeding the isolator displacement limits.A fast non-dominated sorting genetic algorithm(NSGA-Ⅱ)is employed to satisfy this optimization objective.Subsequently,the isolator arrangement,encompassing both positions and categories,is optimized according to this multi-objective optimization method.Additionally,an optimization design platform is developed to streamline the design operation.This platform integrates the input of optimization parameters,the output of optimization results,the finite element analysis,and the multi-objective optimization method proposed herein.Finally,the application of this multi-objective optimization method and its associated platform are demonstrated on two asymmetric base-isolated structures of varying heights and plan configurations.The results indicate that the optimal isolator arrangement derived from the optimization method can further improve the control over the lateral and torsional responses of asymmetric base-isolated structures compared to conventional conceptual design methods.Notably,the interstory rotation of the optimal base-isolated structure is significantly reduced,constituting only approximately 33.7%of that observed in the original base-isolated structure.The proposed platform facilitates the automatic generation of the optimal design scheme for the isolators of asymmetric base-isolated structures,offering valuable insights and guidance for the burgeoning field of intelligent civil engineering design. 展开更多
关键词 asymmetric base-isolated structures isolator arrangement multi-objective optimization NSGA-Ⅱalgorithm optimization design platform
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A Review of Methods for“Pump as Turbine”(PAT)Performance Prediction and Optimal Design
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作者 Xiao Sun Huifan Huang +3 位作者 Yanjuan Zhao Lianghuai Tong Haibin Lin Yuliang Zhang 《Fluid Dynamics & Materials Processing》 2025年第6期1261-1298,共38页
The reverse operation of existing centrifugal pumps,commonly referred to as“Pump as Turbine”(PAT),is a key approach for recovering liquid pressure energy.As a type of hydraulic machinery characterized by a simple st... The reverse operation of existing centrifugal pumps,commonly referred to as“Pump as Turbine”(PAT),is a key approach for recovering liquid pressure energy.As a type of hydraulic machinery characterized by a simple structure and user-friendly operation,PAT holds significant promise for application in industrial waste energy recovery systems.This paper reviews recent advancements in this field,with a focus on pump type selection,performance prediction,and optimization design.First,the advantages of various prototype pumps,including centrifugal,axial-flow,mixed-flow,screw,and plunger pumps,are examined in specific application scenarios while analyzing their suitability for turbine operation.Next,performance prediction techniques for PATs are discussed,encompassing theoretical calculations,numerical simulations,and experimental testing.Special emphasis is placed on the crucial role of Computational Fluid Dynamics(CFD)and internal flow field testing technologies in analyzing PAT internal flow characteristics.Additionally,the impact of multi-objective optimization methods and the application of advanced materials on PAT performance enhancement is addressed.Finally,based on current research findings and existing technical challenges,this review also indicates future development directions;in particular,four key breakthrough areas are identified:advanced materials,innovative design methodologies,internal flow diagnostics,and in-depth analysis of critical components. 展开更多
关键词 Pump as Turbine(PAT) type selection performance prediction internal and external characteristics optimal design
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Aero-propulsive coupling performance and design of distributed propulsion wing
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作者 Kelei WANG Zhou ZHOU 《Chinese Journal of Aeronautics》 2025年第4期127-141,共15页
The Distributed Propulsion Wing(DPW)presents prominent advantages in terms of energy conservation during flight,but the intense integration of propulsive internal flow with aerodynamic external flow brings significant... The Distributed Propulsion Wing(DPW)presents prominent advantages in terms of energy conservation during flight,but the intense integration of propulsive internal flow with aerodynamic external flow brings significant design challenges.To tackle this issue,this paper undertakes a comprehensive investigation of the aero-propulsive coupling performance of the DPW under both hovering and cruising conditions,and subsequently proposes a multi-level collaboration optimization design method based on the decomposition principle.Specifically,the complex 3D surfaces of DPW are systematically dissociated into simple 2D curves with inherent relationships for design.The decomposition is achieved based on the analysis results of the aero-propulsive coupling characteristics.And a DPW design case is conducted and subsequently analyzed in order to further validate the effectiveness and feasibility of the proposed design method.It is shown that a 115.75%drag reduction of DPW can be achieved at cruise under a specified thrust level.Furthermore,the DPW exhibits inherent characteristics of consistent lift-to-drag ratio with the thrust-drag balance constraint,regardless of variations in incoming flow velocity or total thrust. 展开更多
关键词 Distributed propulsion wing Aero-propulsive coupling performance Multi-level collaboration optimization design method Decomposition principle Thrust-drag balance
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High-throughput and intelligent design of potential GRK2 inhibitor candidates using deep learning and mathematical programming methods
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作者 Yujing Zhao Qilei Liu +3 位作者 Jian Du Qingwei Meng Liang Sun Lei Zhang 《Chinese Journal of Chemical Engineering》 2025年第8期11-22,共12页
G protein coupled receptor kinase 2 (GRK2) is a kinase that regulates cardiac signaling activity. Inhibiting GRK2 is a promising mechanism for the treatment of heart failure (HF). Further development and optimization ... G protein coupled receptor kinase 2 (GRK2) is a kinase that regulates cardiac signaling activity. Inhibiting GRK2 is a promising mechanism for the treatment of heart failure (HF). Further development and optimization of inhibitors targeting GRK2 are highly meaningful. Therefore, in order to design GRK2 inhibitors with better performance, the most active molecule was selected as a reference compound from a data set containing 4-pyridylhydrazone derivatives and triazole derivatives, and its scaffold was extracted as the initial scaffold. Then, a powerful optimization-based framework for de novo drug design, guided by binding affinity, was used to generate a virtual molecular library targeting GRK2. The binding affinity of each virtual compound in this dataset was predicted by our developed deep learning model, and the designed potential compound with high binding affinity was selected for molecular docking and molecular dynamics simulation. It was found that the designed potential molecule binds to the ATP site of GRK2, which consists of key amino acids including Arg199, Gly200, Phe202, Val205, Lys220, Met274 and Asp335. The scaffold of the molecule is stabilized mainly by H-bonding and hydrophobic contacts. Concurrently, the reference compound in the dataset was also simulated by docking. It was found that this molecule also binds to the ATP site of GRK2. In addition, its scaffold is stabilized mainly by H-bonding and π-cation stacking interactions with Lys220, as well as hydrophobic contacts. The above results show that the designed potential molecule has similar binding modes to the reference compound, supporting the effectiveness of our framework for activity-focused molecular design. Finally, we summarized the interaction characteristics of general GRK2 inhibitors and gained insight into their molecule-target binding mechanisms, thereby facilitating the expansion of lead to hit compound. 展开更多
关键词 Mathematical modeling Optimal design Product design GRK2 Mathematical programmingmethod Binding affinity
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Deep-Learning-Coupled Numerical Optimization Method for Designing Geometric Structure and Insertion-Withdrawal Force of Press-Fit Connector
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作者 Mingzhi Wang Bingyu Hou Weidong Wang 《Acta Mechanica Solida Sinica》 2025年第1期78-90,共13页
The press-fit connector is a typical plug-and-play solderless connection,and it is widely used in signal transmission in fields such as communication and automotive devices.This paper focuses on inverse designing and ... The press-fit connector is a typical plug-and-play solderless connection,and it is widely used in signal transmission in fields such as communication and automotive devices.This paper focuses on inverse designing and optimization of geometric structure,as well as insertion-withdrawal forces of press-fit connector using artificial neural network(ANN)-assisted optimization method.The ANN model is established to approximate the relationship between geometric parameters and insertion-withdrawal forces,of which hyper-parameters of neural network are optimized to improve model performance.Two numerical methods are proposed for inverse designing structural parameters(Model-I)and multi-objective optimization of insertion-withdrawal forces(Model-II)of press-fit connector.In Model-I,a method for inverse designing structure parameters is established,of which an ANN model is coupled with single-objective optimization algorithm.The objective function is established,the inverse problem is solved,and effectiveness is verified.In Model-II,a multi-objective optimization method is proposed,of which an ANN model is coupled with genetic algorithm.The Pareto solution sets of insertion-withdrawal forces are obtained,and results are analyzed.The established ANN-coupled numerical optimization methods are beneficial for improving the design efficiency,and enhancing the connection reliability of the press-fit connector. 展开更多
关键词 Press-fit connector Compliant pin Insertion-withdrawal force Optimization design Neural network model
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