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To improve robustness of mechanical properties of semi-solid cast A356 alloy using taguchi design method
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作者 Yi-wu Xu Hong-yi Zhan +4 位作者 Wei Tong Jin-ping Li Le-peng Zhang De-jiang Li Xiao-qin Zeng 《China Foundry》 SCIE EI CAS CSCD 2024年第2期175-184,共10页
Mechanical properties of semi-solid casting are dependent on multiple processing parameters,and improper processing parameters will not only reduce mean data but also increase variations.The present study investigated... Mechanical properties of semi-solid casting are dependent on multiple processing parameters,and improper processing parameters will not only reduce mean data but also increase variations.The present study investigated the impact of parameters in slurry preparation and heat treatment on the yield strength and ductility of T6 heat-treated A356 Al-Si alloy using rapid slurry forming(RSF)semi-solid casting.The focus was primarily on the robustness of mechanical properties based on Taguchi design method.By analyzing signal-to-noise ratio and minimum value calculated from-3S,the optimum slurry preparation parameters and heat treatment parameters were determined to be no quench,enthalpy exchange material(EEM)temperature of 140℃,EEM-to-melt ratio of 6mass%,stirring time of 18 s,solution heat treated at 520℃ for 2 h,and ageing heat treated at 190℃ for 6 h.In a small batch validation,the-3S yield strength and-3S elongation reach 256.1 MPa and 5.03% respectively,showing a satisfactory robustness.The hardness and microstructure of heat-treated samples with the best and worst properties were characterized to gain insight into the underlying mechanisms affecting the mean value and variations of mechanical properties. 展开更多
关键词 semi-solid casting taguchi design method signal-to-noise ratio mechanical property MICROSTRUCTURE
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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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A Hybrid Level Set Optimization Design Method of Functionally Graded Cellular Structures Considering Connectivity
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作者 Yan Dong Kang Zhao +1 位作者 Liang Gao Hao Li 《Computers, Materials & Continua》 SCIE EI 2024年第4期1-18,共18页
With the continuous advancement in topology optimization and additive manufacturing(AM)technology,the capability to fabricate functionally graded materials and intricate cellular structures with spatially varying micr... With the continuous advancement in topology optimization and additive manufacturing(AM)technology,the capability to fabricate functionally graded materials and intricate cellular structures with spatially varying microstructures has grown significantly.However,a critical challenge is encountered in the design of these structures–the absence of robust interface connections between adjacent microstructures,potentially resulting in diminished efficiency or macroscopic failure.A Hybrid Level Set Method(HLSM)is proposed,specifically designed to enhance connectivity among non-uniform microstructures,contributing to the design of functionally graded cellular structures.The HLSM introduces a pioneering algorithm for effectively blending heterogeneous microstructure interfaces.Initially,an interpolation algorithm is presented to construct transition microstructures seamlessly connected on both sides.Subsequently,the algorithm enables the morphing of non-uniform unit cells to seamlessly adapt to interconnected adjacent microstructures.The method,seamlessly integrated into a multi-scale topology optimization framework using the level set method,exhibits its efficacy through numerical examples,showcasing its prowess in optimizing 2D and 3D functionally graded materials(FGM)and multi-scale topology optimization.In essence,the pressing issue of interface connections in complex structure design is not only addressed but also a robust methodology is introduced,substantiated by numerical evidence,advancing optimization capabilities in the realm of functionally graded materials and cellular structures. 展开更多
关键词 Hybrid level set method functionally graded cellular structure CONNECTIVITY interpolated transition optimization design
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Support design method for deep soft-rock tunnels in non-hydrostatic high in-situ stress field
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作者 ZHENG Ke-yue SHI Cheng-hua +3 位作者 ZHAO Qian-jin LEI Ming-feng JIA Chao-jun PENG Zhu 《Journal of Central South University》 SCIE EI CAS CSCD 2024年第7期2431-2445,共15页
Due to the long-term plate tectonic movements in southwestern China,the in-situ stress field in deep formations is complex.When passing through deep soft-rock mass under non-hydrostatic high in-situ stress field,tunne... Due to the long-term plate tectonic movements in southwestern China,the in-situ stress field in deep formations is complex.When passing through deep soft-rock mass under non-hydrostatic high in-situ stress field,tunnels will suffer serious asymmetric deformation.There is no available support design method for tunnels under such a situation in existing studies to clarify the support time and support stiffness.This study first analyzed the mechanical behavior of tunnels in non-hydrostatic in-situ stress field and derived the theoretical equations of the ground squeezing curve(GSC)and ground loosening curve(GLC).Then,based on the convergence confinement theory,the support design method of deep soft-rock tunnels under non-hydrostatic high in-situ stress field was established considering both squeezing and loosening pressures.In addition,this method can provide the clear support time and support stiffness of the second layer of initial support.The proposed design method was applied to the Wanhe tunnel of the China-Laos railway in China.Monitoring data indicated that the optimal support scheme had a good effect on controlling the tunnel deformation in non-hydrostatic high in-situ stress field.Field applications showed that the secondary lining could be constructed properly. 展开更多
关键词 non-hydrostatic stress field high in-situ stress deep soft-rock tunnel squeezing pressure loosening pressure support design method
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Research on the design method for uniform wear of shield cutters in sand-pebble strata
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作者 Jinxun Zhang Bo Li +4 位作者 Guihe Wang Yusheng Jiang Hua Jiang Minglun Yin Zhengyang Sun 《Deep Underground Science and Engineering》 2024年第2期216-230,共15页
During shield tunneling in highly abrasive formations such as sand–pebble strata,nonuniform wear of shield cutters is inevitable due to the different cutting distances.Frequent downtimes and cutter replacements have ... During shield tunneling in highly abrasive formations such as sand–pebble strata,nonuniform wear of shield cutters is inevitable due to the different cutting distances.Frequent downtimes and cutter replacements have become major obstacles to long-distance shield driving in sand–pebble strata.Based on the cutter wear characteristics in sand–pebble strata in Beijing,a design methodology for the cutterhead and cutters was established in this study to achieve uniform wear of all cutters by the principle of frictional wear.The applicability of the design method was verified through three-dimensional simulations using the engineering discrete element method.The results show that uniform wear of all cutters on the cutterhead could be achieved by installing different numbers of cutters on each trajectory radius and designing a curved spoke with a certain arch height according to the shield diameter.Under the uniform wear scheme,the cutter wear coefficient is greatly reduced,and the largest shield driving distance is increased by approximately 47%over the engineering scheme.The research results indicate that the problem of nonuniform cutter wear in shield excavation could be overcome,thereby providing guiding significance for theoretical innovation and construction of long-distance shield excavation in highly abrasive strata. 展开更多
关键词 cutter wear EDEM model long-distance shield driving sand-pebble stratum shield tunnel uniform wear design method
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A Mixed-Variable Experimental Design Method
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作者 Zili Wan Qi Wang 《Open Journal of Applied Sciences》 2024年第2期343-352,共10页
Mixed-variable problems are inevitable in engineering. However, few researches pay attention to discrete variables. This paper proposed a mixed-variable experimental design method (ODCD): first, the design variables w... Mixed-variable problems are inevitable in engineering. However, few researches pay attention to discrete variables. This paper proposed a mixed-variable experimental design method (ODCD): first, the design variables were divided into discrete variables and continuous variables;then, the DVD method was employed for handling discrete variables, the LHD method was applied for continuous variables, and finally, a Columnwise-Pairwise Algorithm was used for the overall optimization of the design matrix. Experimental results demonstrated that the ODCD method outperforms in terms of the sample space coverage performance. 展开更多
关键词 OPTIMIZATION Experimental design methods Discrete Variable
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Exploring Digital Visualization Methods in Urban Public Building Space Design
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作者 Pan Liang Sharul Azim Sharudin 《Journal of Architectural Research and Development》 2024年第2期55-61,共7页
Digital technology has driven the innovation of architectural design methods and tools,applying digital techniques to allow greater possibilities for more innovative and scientific design of public building spaces.Thi... Digital technology has driven the innovation of architectural design methods and tools,applying digital techniques to allow greater possibilities for more innovative and scientific design of public building spaces.This article first analyzes the characteristics of digital visualization and its advantages in the design of urban public building spaces,including aspects such as visualizing three-dimensional expression,rational analysis of building space,Virtual Reality Experience,and integration of design and construction processes.Subsequently,by introducing digital design methods such as parametric design,algorithmic generation,nonlinear design,and artificial intelligence-assisted design,it explores the methods and implementation approaches of digital visualization in the design of public building spaces.The aim is to offer insights and references for the deeper integration of digital technology into architectural design practices. 展开更多
关键词 Public building Space design Digital visualization methodS
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Selection of Water Transmission Method and Analysis of Pipe Network Zoning in Municipal Water Supply and Drainage Design
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作者 Liang Liu 《Journal of World Architecture》 2024年第2期56-61,共6页
With the acceleration of urbanization,the demand for water supply and drainage pipe networks has increased significantly.In the planning of urban construction,it is necessary to optimize the design of the water supply... With the acceleration of urbanization,the demand for water supply and drainage pipe networks has increased significantly.In the planning of urban construction,it is necessary to optimize the design of the water supply and drainage system pipe network to effectively save energy while providing residents with more accessible water resources.Therefore,the municipal water supply and drainage system and the water transmission methods should be designed according to the geographical conditions of the city.In this paper,we mainly analyze the design of municipal water supply and drainage systems and the selection of water transmission methods.Besides,the optimization of the water supply and drainage network zoning process and pipe network maintenance is also discussed,so as to provide a reference for municipal water supply and drainage work. 展开更多
关键词 Municipal water supply and drainage design Water transmission method Pipe network zoning maintenance
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Design methods for antimicrobial peptides with improved performance
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作者 James Mwangi Peter Muiruri Kamau +1 位作者 Rebecca Caroline Thuku Ren Lai 《Zoological Research》 SCIE CSCD 2023年第6期1095-1114,共20页
The recalcitrance of pathogens to traditional antibiotics has made treating and eradicating bacterial infections more difficult.In this regard,developing new antimicrobial agents to combat antibiotic-resistant strains... The recalcitrance of pathogens to traditional antibiotics has made treating and eradicating bacterial infections more difficult.In this regard,developing new antimicrobial agents to combat antibiotic-resistant strains has become a top priority.Antimicrobial peptides(AMPs),a ubiquitous class of naturally occurring compounds with broadspectrum antipathogenic activity,hold significant promise as an effective solution to the current antimicrobial resistance(AMR)crisis.Several AMPs have been identified and evaluated for their therapeutic application,with many already in the drug development pipeline.Their distinct properties,such as high target specificity,potency,and ability to bypass microbial resistance mechanisms,make AMPs a promising alternative to traditional antibiotics.Nonetheless,several challenges,such as high toxicity,lability to proteolytic degradation,low stability,poor pharmacokinetics,and high production costs,continue to hamper their clinical applicability.Therefore,recent research has focused on optimizing the properties of AMPs to improve their performance.By understanding the physicochemical properties of AMPs that correspond to their activity,such as amphipathicity,hydrophobicity,structural conformation,amino acid distribution,and composition,researchers can design AMPs with desired and improved performance.In this review,we highlight some of the key strategies used to optimize the performance of AMPs,including rational design and de novo synthesis.We also discuss the growing role of predictive computational tools,utilizing artificial intelligence and machine learning,in the design and synthesis of highly efficacious lead drug candidates. 展开更多
关键词 Antimicrobial resistance Antimicrobial peptides design methods PEPTIDOMIMETICS Artificial intelligence
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Bamboo Fiber Modified Asphalt Mixture Proportion Design and Road Performances Based on Response Surface Method
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作者 李海滨 SUN Jianmei +3 位作者 WANG Sirui ZHANG Mingming HU Yihong SHENG Yanping 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2023年第1期156-170,共15页
In order to comprehensively utilize the remaining bamboo residue of bamboo products,this paper presents a research on recycling the bamboo fibers from bamboo residue for improving the performance of the asphalt mixtur... In order to comprehensively utilize the remaining bamboo residue of bamboo products,this paper presents a research on recycling the bamboo fibers from bamboo residue for improving the performance of the asphalt mixtures.First of all,the basic performance parameters of sinocalamus affinis fiber,phyllostachys pubescens fiber,green bamboo fiber were tested and analyzed,and the optimal content and length were put forward.Then,the mix ratio design of the bamboo fiber modified asphalt mixture was further designed through the response surface method,and was verified the rationality of the mix ratio.Finally,the mixture specimens were made according to the experimental design mix ratio,and the high temperature,low temperature performance and moisture susceptibility of the bamboo fiber modified mixtures asphalt were tested.The results showed that the high temperature performance,low temperature performance and moisture susceptibility of bamboo fiber modified asphalt mixtures were improved compared with the performance of SBS modified asphalt mixture.When the length of bamboo fiber is 7.25 mm and the content of 0.22%,the road performance of the asphalt mixture was optimal.Consequentially,the decomposition of bamboo residue into bamboo fiber and its application in asphalt pavement can improve the reuse of bamboo waste,with remarkable environmental benefits and great promotion value. 展开更多
关键词 bamboo fiber response surface method asphalt mixture proportion design road performances bamboo waste
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An Uncertainty Analysis and Reliability-Based Multidisciplinary Design Optimization Method Using Fourth-Moment Saddlepoint Approximation
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作者 Yongqiang Guo Zhiyuan Lv 《Computer Modeling in Engineering & Sciences》 SCIE EI 2023年第3期1855-1870,共16页
In uncertainty analysis and reliability-based multidisciplinary design and optimization(RBMDO)of engineering structures,the saddlepoint approximation(SA)method can be utilized to enhance the accuracy and efficiency of... In uncertainty analysis and reliability-based multidisciplinary design and optimization(RBMDO)of engineering structures,the saddlepoint approximation(SA)method can be utilized to enhance the accuracy and efficiency of reliability evaluation.However,the random variables involved in SA should be easy to handle.Additionally,the corresponding saddlepoint equation should not be complicated.Both of them limit the application of SA for engineering problems.The moment method can construct an approximate cumulative distribution function of the performance function based on the first few statistical moments.However,the traditional moment matching method is not very accurate generally.In order to take advantage of the SA method and the moment matching method to enhance the efficiency of design and optimization,a fourth-moment saddlepoint approximation(FMSA)method is introduced into RBMDO.In FMSA,the approximate cumulative generating functions are constructed based on the first four moments of the limit state function.The probability density function and cumulative distribution function are estimated based on this approximate cumulative generating function.Furthermore,the FMSA method is introduced and combined into RBMDO within the framework of sequence optimization and reliability assessment,which is based on the performance measure approach strategy.Two engineering examples are introduced to verify the effectiveness of proposed method. 展开更多
关键词 Reliability-based multidisciplinary design optimization moment method saddlepoint approximate sequence optimization and reliability assessment performance measure approach
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Optimum Design of Stair-Climbing Robots Using Taguchi Method
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作者 A.Arunkumar S.Ramabalan D.Elayaraja 《Intelligent Automation & Soft Computing》 SCIE 2023年第1期1229-1244,共16页
Environmental issues like pollution are major threats to human health.Many systems are developed to reduce pollution.In this paper,an optimal mobile robot design to reduce pollution in Green supply chain management sy... Environmental issues like pollution are major threats to human health.Many systems are developed to reduce pollution.In this paper,an optimal mobile robot design to reduce pollution in Green supply chain management system.Green supply chain management involves as similating environmentally and eco-nomically feasible solutions into the supply chain life-cycle.Smartness,advanced technologies,and advanced networks are becoming pillars of a sustainable supply chain management system.At the same time,there is much change happening in the logistics industry.They are moving towards a new logistics model.In the new model,robotic logistics has a vital role.The reasons for this change are the rapid growth of the e-commerce business and the shortage of workers.The advantages of using robotic logistics are reduction in human errors,faster delivery speed,better customer satisfaction,more safety for workers,and high workforce adaptability.A robot with rocker-bogie suspension is a six-wheeled mobile platform that has a distinctive potential to keep all wheels on the ground continuously.It has been designed to traverse rough and uneven terrain by distributing the load over its wheels equally.However,there is a limitation to achieving high-speed mobility against vertical barriers.In this research,an optimal design of product delivery wheeled robots for a sustainable supply chain system is proposed to ensure higher adaptability and maximum stability during climbing staircases.The design parameters of the proposed robot are optimized using Taguchi Method.The aim is to get a smooth trajectory of the robot’s center-of-mass.The proposed approach realizes a robot with much-improved stability which can climb over heights more than the size of the wheel(i.e.,3 times the radius of wheels).The results reveal that the modified rocker-bogie system not only increases the stair-climbing capability but also thwarts instability due to overturning of a wheel of the robot. 展开更多
关键词 Green supply chain management robotic logistics stair-climbing wheeled mobile robot optimum design rocker-bogie mechanism taguchi method
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Design of N-11-Azaartemisinins Potentially Active against Plasmodium falciparum by Combined Molecular Electrostatic Potential, Ligand-Receptor Interaction and Models Built with Supervised Machine Learning Methods
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作者 Jeferson Stiver Oliveira de Castro José Ciríaco Pinheiro +5 位作者 Sílvia Simone dos Santos de Morais Heriberto Rodrigues Bitencourt Antonio Florêncio de Figueiredo Marcos Antonio Barros dos Santos Fábio dos Santos Gil Ana Cecília Barbosa Pinheiro 《Journal of Biophysical Chemistry》 CAS 2023年第1期1-29,共29页
N-11-azaartemisinins potentially active against Plasmodium falciparum are designed by combining molecular electrostatic potential (MEP), ligand-receptor interaction, and models built with supervised machine learning m... N-11-azaartemisinins potentially active against Plasmodium falciparum are designed by combining molecular electrostatic potential (MEP), ligand-receptor interaction, and models built with supervised machine learning methods (PCA, HCA, KNN, SIMCA, and SDA). The optimization of molecular structures was performed using the B3LYP/6-31G* approach. MEP maps and ligand-receptor interactions were used to investigate key structural features required for biological activities and likely interactions between N-11-azaartemisinins and heme, respectively. The supervised machine learning methods allowed the separation of the investigated compounds into two classes: cha and cla, with the properties ε<sub>LUMO+1</sub> (one level above lowest unoccupied molecular orbital energy), d(C<sub>6</sub>-C<sub>5</sub>) (distance between C<sub>6</sub> and C<sub>5</sub> atoms in ligands), and TSA (total surface area) responsible for the classification. The insights extracted from the investigation developed and the chemical intuition enabled the design of sixteen new N-11-azaartemisinins (prediction set), moreover, models built with supervised machine learning methods were applied to this prediction set. The result of this application showed twelve new promising N-11-azaartemisinins for synthesis and biological evaluation. 展开更多
关键词 Antimalarial design MEP Ligand-Receptor Interaction Supervised Machine Learning methods Models Built with Supervised Machine Learning methods
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Current situation and development trend of design methods for subgrade structure of high speed railways
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作者 Yangsheng Ye Degou Cai +3 位作者 Qianli Zhang Shaowei Wei Hongye Yan Lin Geng 《Railway Sciences》 2023年第3期289-309,共21页
Purpose–This method will become a new development trend in subgrade structure design for high speed railways.Design/methodology/approach–This paper summarizes the structural types and design methods of subgrade bed ... Purpose–This method will become a new development trend in subgrade structure design for high speed railways.Design/methodology/approach–This paper summarizes the structural types and design methods of subgrade bed for high speed railways in China,Japan,France,Germany,the United States and other countries based on the study and analysis of existing literature and combined with the research results and practices of high speed railway subgrade engineering at home and abroad.Findings–It is found that in foreign countries,the layered reinforced structure is generally adopted for the subgrade bed of high speed railways,and the unified double-layer or multi-layer structure is adopted for the surface layer of subgrade bed,while the simple structure is adopted in China;in foreign countries,different inspection parameters are adopted to evaluate the compaction state of fillers according to their respective understanding and practice,while in China,compaction coefficient,subsoil coefficient and dynamic deformation modulus are adopted for such evaluation;in foreign countries,the subgrade top deformation control method,the subgrade bottom deformation control method,the subsurface fill strength control method are mainly adopted in subgrade bed structure design of high speed railways,while in China,dynamic deformation control of subgrade surface and dynamic strain control of subgrade bed bottom layer is adopted in the design.However,the cumulative deformation of subgrade caused by train cyclic vibration load is not considered in the existing design methods.Originality/value–This paper introduces a new subgrade structure design method based on whole-process dynamics analysis that meets subgrade functional requirements and is established on the basis of the existing research at home and abroad on prediction methods for cumulative deformation of subgrade soil. 展开更多
关键词 High speed railway Subgrade engineering Subgrade bed structure design method Existing research Development trend
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The Ultimate Anti-Seismic Design Method
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作者 Ioannis N. Lymperis 《Open Journal of Civil Engineering》 2023年第4期771-801,共31页
The design mechanisms and methods of the invention are intended to minimize problems related to the safety of structures in the event of natural phenomena such as earthquakes, tornadoes, and strong winds. It is achiev... The design mechanisms and methods of the invention are intended to minimize problems related to the safety of structures in the event of natural phenomena such as earthquakes, tornadoes, and strong winds. It is achieved by controlling the deformations of the structure. Damage and deformation are closely related concepts since the control of deformations also controls the damage. The design method of applying artificial compression to the ends of all longitudinal reinforced concrete walls and, at the same time, connecting the ends of the walls to the ground using ground anchors placed at the depths of the boreholes, transfers the inertial stresses of the structure in the ground, which reacts as an external force in the structure’s response to seismic displacements. The wall with the artificial compression acquires dynamic, larger active cross-section and high axial and torsional stiffness, preventing all failures caused by inelastic deformation. By connecting the ends of all walls to the ground, we control the eigenfrequency of the structure and the ground during each seismic loading cycle, preventing inelastic displacements. At the same time, we ensure the strong bearing capacity of the foundation soil and the structure. By designing the walls correctly and placing them in proper locations, we prevent the torsional flexural buckling that occurs in asymmetrical floor plans, and metal and tall structures. Compression of the wall sections at the ends and their anchoring to the ground mitigates the transfer of deformations to the connection nodes, strengthens the wall section in terms of base shear force and shear stress of the sections, and increases the strength of the cross-sections to the tensile at the ends of the walls by introducing counteractive forces. The use of tendons within the ducts prevents longitudinal shear in the overlay concrete, while anchoring the walls to the foundation not only dissipates inertial forces to the ground but also prevents rotation of the walls, thus maintaining the structural integrity of the beams. The prestressing at the bilateral ends of the walls restores the structure to its original position even inelastic displacements by closing the opening of the developing cracks. 展开更多
关键词 ULTIMATE Control-System ANTI-SEISMIC EARTHQUAKES CONSTRUCTION method design
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Accelerating Factor Xa inhibitor discovery with a de novo drug design pipeline
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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》 SCIE EI CAS CSCD 2024年第8期85-94,共10页
Small-molecule drugs are essential for maintaining human health. The objective of this study is to identify a molecule that can inhibit the Factor Xa protein and be easily procured. An optimization-based de novo drug ... Small-molecule drugs are essential for maintaining human health. The objective of this study is to identify a molecule that can inhibit the Factor Xa protein and be easily procured. An optimization-based de novo drug design framework, Drug CAMD, that integrates a deep learning model with a mixed-integer nonlinear programming model is used for designing drug candidates. Within this framework, a virtual chemical library is specifically tailored to inhibit Factor Xa. To further filter and narrow down the lead compounds from the designed compounds, comprehensive approaches involving molecular docking,binding pose metadynamics(BPMD), binding free energy calculations, and enzyme activity inhibition analysis are utilized. To maximize efficiency in terms of time and resources, molecules for in vitro activity testing are initially selected from commercially available portions of customized virtual chemical libraries. In vitro studies assessing inhibitor activities have confirmed that the compound EN300-331859shows potential Factor Xa inhibition, with an IC_(50)value of 34.57 μmol·L^(-1). Through in silico molecular docking and BPMD, the most plausible binding pose for the EN300-331859-Factor Xa complex are identified. The estimated binding free energy values correlate well with the results obtained from biological assays. Consequently, EN300-331859 is identified as a novel and effective sub-micromolar inhibitor of Factor Xa. 展开更多
关键词 Chemical product design Mathematical programming method Deep learning Binding affinity Factor Xa inhibitor
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An Efficient Reliability-Based Optimization Method Utilizing High-Dimensional Model Representation and Weight-Point Estimation Method
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作者 Xiaoyi Wang Xinyue Chang +2 位作者 Wenxuan Wang Zijie Qiao Feng Zhang 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第5期1775-1796,共22页
The objective of reliability-based design optimization(RBDO)is to minimize the optimization objective while satisfying the corresponding reliability requirements.However,the nested loop characteristic reduces the effi... The objective of reliability-based design optimization(RBDO)is to minimize the optimization objective while satisfying the corresponding reliability requirements.However,the nested loop characteristic reduces the efficiency of RBDO algorithm,which hinders their application to high-dimensional engineering problems.To address these issues,this paper proposes an efficient decoupled RBDO method combining high dimensional model representation(HDMR)and the weight-point estimation method(WPEM).First,we decouple the RBDO model using HDMR and WPEM.Second,Lagrange interpolation is used to approximate a univariate function.Finally,based on the results of the first two steps,the original nested loop reliability optimization model is completely transformed into a deterministic design optimization model that can be solved by a series of mature constrained optimization methods without any additional calculations.Two numerical examples of a planar 10-bar structure and an aviation hydraulic piping system with 28 design variables are analyzed to illustrate the performance and practicability of the proposed method. 展开更多
关键词 Reliability-based design optimization high-dimensional model decomposition point estimation method Lagrange interpolation aviation hydraulic piping system
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A symmetric substructuring method for analyzing the natural frequencies of conical origami structures
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作者 Chenhao Lu Yao Chen +2 位作者 Weiying Fan Jian Feng Pooya Sareh 《Theoretical & Applied Mechanics Letters》 CAS CSCD 2024年第3期203-210,共8页
Conical origami structures are characterized by their substantial out-of-plane stiffness and energy-absorptioncapacity.Previous investigations have commonly focused on the static characteristics of these lightweight s... Conical origami structures are characterized by their substantial out-of-plane stiffness and energy-absorptioncapacity.Previous investigations have commonly focused on the static characteristics of these lightweight struc-tures.However,the efficient analysis of the natural vibrations of these structures is pivotal for designing conicalorigami structures with programmable stiffness and mass.In this paper,we propose a novel method to analyzethe natural vibrations of such structures by combining a symmetric substructuring method(SSM)and a gener-alized eigenvalue analysis.SSM exploits the inherent symmetry of the structure to decompose it into a finiteset of repetitive substructures.In doing so,we reduce the dimensions of matrices and improve computationalefficiency by adopting the stiffness and mass matrices of the substructures in the generalized eigenvalue analysis.Finite element simulations of pin-jointed models are used to validate the computational results of the proposedapproach.Moreover,the parametric analysis of the structures demonstrates the influences of the number of seg-ments along the circumference and the radius of the cone on the structural mass and natural frequencies of thestructures.Furthermore,we present a comparison between six-fold and four-fold conical origami structures anddiscuss the influence of various geometric parameters on their natural frequencies.This study provides a strategyfor efficiently analyzing the natural vibration of symmetric origami structures and has the potential to contributeto the efficient design and customization of origami metastructures with programmable stiffness. 展开更多
关键词 Natural structural vibration Origami design Group theory Symmetric substructuring method(SSM) Generalized eigenvalue analysis
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Design,preparation,application of advanced array structured materials and their action mechanism analyses for high performance lithium-sulfur batteries
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作者 Nanping Deng Xiaofan Feng +7 位作者 Yongbing Jin Zhaozhao Peng Yang Feng Ying Tian Yong Liu Lu Gao Weimin Kang Bowen Cheng 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第2期266-303,I0007,共39页
Lithium-sulfur battery(LSB)has brought much attention and concern because of high theoretical specific capacity and energy density as one of main competitors for next-generation energy storage systems.The widely comme... Lithium-sulfur battery(LSB)has brought much attention and concern because of high theoretical specific capacity and energy density as one of main competitors for next-generation energy storage systems.The widely commercial application and development of LSB is mainly hindered by serious“shuttle effect”of lithium polysulfides(Li PSs),slow reaction kinetics,notorious lithium dendrites,etc.In various structures of LSB materials,array structured materials,possessing the composition of ordered micro units with the same or similar characteristics of each unit,present excellent application potential for various secondary cells due to some merits such as immobilization of active substances,high specific surface area,appropriate pore sizes,easy modification of functional material surface,accommodated huge volume change,enough facilitated transportation for electrons/lithium ions,and special functional groups strongly adsorbing Li PSs.Thus many novel array structured materials are applied to battery for tackling thorny problems mentioned above.In this review,recent progresses and developments on array structured materials applied in LSBs including preparation ways,collaborative structural designs based on array structures,and action mechanism analyses in improving electrochemical performance and safety are summarized.Meanwhile,we also have detailed discussion for array structured materials in LSBs and constructed the structure-function relationships between array structured materials and battery performances.Lastly,some directions and prospects about preparation ways,functional modifications,and practical applications of array structured materials in LSBs are generalized.We hope the review can attract more researchers'attention and bring more studying on array structured materials for other secondary batteries including LSB. 展开更多
关键词 Array structured materials Preparation methods and structural designs Action mechanism analyses Advanced Li-S batteries Excellent electrochemical performances and safety
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Optimizing Bucket Elevator Performance through a Blend of Discrete Element Method, Response Surface Methodology, and Firefly Algorithm Approaches
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作者 Pirapat Arunyanart Nithitorn Kongkaew Supattarachai Sudsawat 《Computers, Materials & Continua》 SCIE EI 2024年第8期3379-3403,共25页
This research introduces a novel approach to enhancing bucket elevator design and operation through the integration of discrete element method(DEM)simulation,design of experiments(DOE),and metaheuristic optimization a... This research introduces a novel approach to enhancing bucket elevator design and operation through the integration of discrete element method(DEM)simulation,design of experiments(DOE),and metaheuristic optimization algorithms.Specifically,the study employs the firefly algorithm(FA),a metaheuristic optimization technique,to optimize bucket elevator parameters for maximizing transport mass and mass flow rate discharge of granular materials under specified working conditions.The experimental methodology involves several key steps:screening experiments to identify significant factors affecting bucket elevator operation,central composite design(CCD)experiments to further explore these factors,and response surface methodology(RSM)to create predictive models for transport mass and mass flow rate discharge.The FA algorithm is then applied to optimize these models,and the results are validated through simulation and empirical experiments.The study validates the optimized parameters through simulation and empirical experiments,comparing results with DEM simulation.The outcomes demonstrate the effectiveness of the FA algorithm in identifying optimal bucket parameters,showcasing less than 10%and 15%deviation for transport mass and mass flow rate discharge,respectively,between predicted and actual values.Overall,this research provides insights into the critical factors influencing bucket elevator operation and offers a systematic methodology for optimizing bucket parameters,contributing to more efficient material handling in various industrial applications. 展开更多
关键词 Discrete element method(DEM) design of experiments(DOE) firefly algorithm(FA) response surface methodology(RSM)
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