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水田动力底盘逆向建模与质心验证——基于Geomagic Design X
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作者 何剑飞 曾志浩 +5 位作者 郭梓游 李贵蓉 钟文能 钟顺 王在满 李庆 《农机化研究》 北大核心 2024年第10期248-253,共6页
针对目前农业机械仿真和优化模型精度不高的问题,提出了一种构建精确模型的逆向建模方法。应用光学扫描仪采集点云数据,基于Geomagic Design X处理点云数据并重构零部件模型,在SolidWorks中完成水田动力底盘的装配。以VP6D-CQ型水田动... 针对目前农业机械仿真和优化模型精度不高的问题,提出了一种构建精确模型的逆向建模方法。应用光学扫描仪采集点云数据,基于Geomagic Design X处理点云数据并重构零部件模型,在SolidWorks中完成水田动力底盘的装配。以VP6D-CQ型水田动力底盘为例,将测得的实际质心位置与所建的模型质心位置进行比较,并对提出的逆向建模方法进行了试验验证以及误差分析。结果表明:总质量、x坐标、y坐标、z坐标的误差值分别为4.55%、3.62%、2.23%、4.81%,误差值均在5%内。此方法可构建准确的三维模型,为后续仿真优化数据精确性奠定了基础,与传统的研发相比较,可缩短农业机械研发周期、降低设计成本。 展开更多
关键词 水田 动力底盘 逆向建模 质心验证 Geomagic design X 数字样机
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基于Design-Expert的电链锯锯齿结构参数优化
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作者 刘九庆 张天翼 +1 位作者 金攀 朱斌海 《森林工程》 北大核心 2024年第2期142-150,共9页
为提高电链锯的锯切效率,对电链锯锯齿的齿形结构参数进行研究,以单位锯切功为电链锯锯切效率的衡量指标,通过对电链锯锯切过程的仿真研究,得出不同结构锯齿的单位锯切功。以电链锯锯齿中的外形前角、侧刃楔角和顶刃楔角等结构参数作为... 为提高电链锯的锯切效率,对电链锯锯齿的齿形结构参数进行研究,以单位锯切功为电链锯锯切效率的衡量指标,通过对电链锯锯切过程的仿真研究,得出不同结构锯齿的单位锯切功。以电链锯锯齿中的外形前角、侧刃楔角和顶刃楔角等结构参数作为影响因子,采用Box-Benhnken中心组合试验方法设计多因素正交试验,使用Design-expert软件进行数据分析得出最优齿形结构参数组合。研究结果表明,所选取的齿形结构参数对单位锯切功影响程度由大到小顺序依次为外形前角、侧刃楔角、顶刃楔角,并获得最优齿形结构参数组合,外形前角为10.92°、侧刃楔角为45.7°、顶刃楔角为45.41°。 展开更多
关键词 电链锯 锯切效率 齿形结构参数 design-expert 单位锯切功
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基于“Design Thinking”理念的职业院校创新创业人才培养模式
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作者 杨经纬 《产业创新研究》 2024年第7期184-186,共3页
随着我国经济不断发展和社会进步,创新创业已经成为推动经济增长的关键驱动力,在2015年全国人民代表大会上,李克强总理将“大众创业、万众创新”明确列为我国经济增长的“双引擎”之一,彰显了创新创业对于推动社会发展的重要地位。为响... 随着我国经济不断发展和社会进步,创新创业已经成为推动经济增长的关键驱动力,在2015年全国人民代表大会上,李克强总理将“大众创业、万众创新”明确列为我国经济增长的“双引擎”之一,彰显了创新创业对于推动社会发展的重要地位。为响应国家政策,各高校积极开展创新创业教育,将其纳入高等教育综合改革的重要议程,成为培养未来人才的重要途径。本文分析了“Design Thinking”理念下职业院校创新创业人才培养的必要性,围绕新时期专业院校创新创业人才培养的要求,提出了基于“Design Thinking”理念的职业院校创新创业人才培养模式的有效策略,为职业院校人才培养效率的强化提供了参考性意见。 展开更多
关键词 design Thinking”理念 职业院校 创新创业 人才培养
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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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Combining Deep Learning with Knowledge Graph for Design Knowledge Acquisition in Conceptual Product Design
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作者 Yuexin Huang Suihuai Yu +4 位作者 Jianjie Chu Zhaojing Su Yangfan Cong Hanyu Wang Hao Fan 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第1期167-200,共34页
The acquisition of valuable design knowledge from massive fragmentary data is challenging for designers in conceptual product design.This study proposes a novel method for acquiring design knowledge by combining deep ... The acquisition of valuable design knowledge from massive fragmentary data is challenging for designers in conceptual product design.This study proposes a novel method for acquiring design knowledge by combining deep learning with knowledge graph.Specifically,the design knowledge acquisition method utilises the knowledge extraction model to extract design-related entities and relations from fragmentary data,and further constructs the knowledge graph to support design knowledge acquisition for conceptual product design.Moreover,the knowledge extraction model introduces ALBERT to solve memory limitation and communication overhead in the entity extraction module,and uses multi-granularity information to overcome segmentation errors and polysemy ambiguity in the relation extraction module.Experimental comparison verified the effectiveness and accuracy of the proposed knowledge extraction model.The case study demonstrated the feasibility of the knowledge graph construction with real fragmentary porcelain data and showed the capability to provide designers with interconnected and visualised design knowledge. 展开更多
关键词 Conceptual product design design knowledge acquisition knowledge graph entity extraction relation extraction
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A Comparative Study of Metaheuristic Optimization Algorithms for Solving Real-World Engineering Design Problems
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作者 Elif Varol Altay Osman Altay Yusuf Ovik 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第4期1039-1094,共56页
Real-world engineering design problems with complex objective functions under some constraints are relatively difficult problems to solve.Such design problems are widely experienced in many engineering fields,such as ... Real-world engineering design problems with complex objective functions under some constraints are relatively difficult problems to solve.Such design problems are widely experienced in many engineering fields,such as industry,automotive,construction,machinery,and interdisciplinary research.However,there are established optimization techniques that have shown effectiveness in addressing these types of issues.This research paper gives a comparative study of the implementation of seventeen new metaheuristic methods in order to optimize twelve distinct engineering design issues.The algorithms used in the study are listed as:transient search optimization(TSO),equilibrium optimizer(EO),grey wolf optimizer(GWO),moth-flame optimization(MFO),whale optimization algorithm(WOA),slimemould algorithm(SMA),harris hawks optimization(HHO),chimp optimization algorithm(COA),coot optimization algorithm(COOT),multi-verse optimization(MVO),arithmetic optimization algorithm(AOA),aquila optimizer(AO),sine cosine algorithm(SCA),smell agent optimization(SAO),and seagull optimization algorithm(SOA),pelican optimization algorithm(POA),and coati optimization algorithm(CA).As far as we know,there is no comparative analysis of recent and popular methods against the concrete conditions of real-world engineering problems.Hence,a remarkable research guideline is presented in the study for researchersworking in the fields of engineering and artificial intelligence,especiallywhen applying the optimization methods that have emerged recently.Future research can rely on this work for a literature search on comparisons of metaheuristic optimization methods in real-world problems under similar conditions. 展开更多
关键词 Metaheuristic optimization algorithms real-world engineering design problems multidisciplinary design optimization problems
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基于Smart Design的校园光伏电站仿真研究
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作者 刘垚 周湘杰 +1 位作者 陈嘉贵 黄静 《电子产品世界》 2024年第2期10-14,共5页
基于智能光伏设计软件Smart Design,对株洲市某高校图书馆屋顶的工商业光伏电站进行了设计与仿真。通过评估当地太阳能资源和气象参数,确定了光伏电站的最佳选址和倾角。利用软件的3D建模和电气设计功能,完成了光伏板排布和电气连接,采... 基于智能光伏设计软件Smart Design,对株洲市某高校图书馆屋顶的工商业光伏电站进行了设计与仿真。通过评估当地太阳能资源和气象参数,确定了光伏电站的最佳选址和倾角。利用软件的3D建模和电气设计功能,完成了光伏板排布和电气连接,采用隆基绿能双面光伏组件和华为光伏优化器及逆变器,提高了电站效率。仿真结果显示,该电站具有良好的发电量、经济效益和社会贡献。 展开更多
关键词 光伏发电 Smart design 设计与仿真
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Machine learning for membrane design and discovery
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作者 Haoyu Yin Muzi Xu +4 位作者 Zhiyao Luo Xiaotian Bi Jiali Li Sui Zhang Xiaonan Wang 《Green Energy & Environment》 SCIE EI CAS CSCD 2024年第1期54-70,共17页
Membrane technologies are becoming increasingly versatile and helpful today for sustainable development.Machine Learning(ML),an essential branch of artificial intelligence(AI),has substantially impacted the research an... Membrane technologies are becoming increasingly versatile and helpful today for sustainable development.Machine Learning(ML),an essential branch of artificial intelligence(AI),has substantially impacted the research and development norm of new materials for energy and environment.This review provides an overview and perspectives on ML methodologies and their applications in membrane design and dis-covery.A brief overview of membrane technologies isfirst provided with the current bottlenecks and potential solutions.Through an appli-cations-based perspective of AI-aided membrane design and discovery,we further show how ML strategies are applied to the membrane discovery cycle(including membrane material design,membrane application,membrane process design,and knowledge extraction),in various membrane systems,ranging from gas,liquid,and fuel cell separation membranes.Furthermore,the best practices of integrating ML methods and specific application targets in membrane design and discovery are presented with an ideal paradigm proposed.The challenges to be addressed and prospects of AI applications in membrane discovery are also highlighted in the end. 展开更多
关键词 Machine learning Membranes AI for Membrane DATA-DRIVEN design
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Deep Insight of Design,Mechanism,and Cancer Theranostic Strategy of Nanozymes
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作者 Lu Yang Shuming Dong +6 位作者 Shili Gai Dan Yang He Ding Lili Feng Guixin Yang Ziaur Rehman Piaoping Yang 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第2期165-217,共53页
Since the discovery of enzyme-like activity of Fe3O4 nanoparticles in 2007,nanozymes are becoming the promising substitutes for natural enzymes due to their advantages of high catalytic activity,low cost,mild reaction... Since the discovery of enzyme-like activity of Fe3O4 nanoparticles in 2007,nanozymes are becoming the promising substitutes for natural enzymes due to their advantages of high catalytic activity,low cost,mild reaction conditions,good stability,and suitable for large-scale production.Recently,with the cross fusion of nanomedicine and nanocatalysis,nanozyme-based theranostic strategies attract great attention,since the enzymatic reactions can be triggered in the tumor microenvironment to achieve good curative effect with substrate specificity and low side effects.Thus,various nanozymes have been developed and used for tumor therapy.In this review,more than 270 research articles are discussed systematically to present progress in the past five years.First,the discovery and development of nanozymes are summarized.Second,classification and catalytic mechanism of nanozymes are discussed.Third,activity prediction and rational design of nanozymes are focused by highlighting the methods of density functional theory,machine learning,biomimetic and chemical design.Then,synergistic theranostic strategy of nanozymes are introduced.Finally,current challenges and future prospects of nanozymes used for tumor theranostic are outlined,including selectivity,biosafety,repeatability and stability,in-depth catalytic mechanism,predicting and evaluating activities. 展开更多
关键词 Nanozymes Classification Prediction and design Catalytic mechanism Tumor theranostics
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基于Cast Designer的壳体铸件铸造工艺设计及智能优化
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作者 巩红涛 张怀章 +3 位作者 杨磊 杨国超 马永健 李丰 《热加工工艺》 北大核心 2024年第5期103-105,共3页
使用Cast Designer铸造仿真分析软件,通过可铸性评估系统DFM,完成浇冒系统的辅助设计,然后使用DOE技术和基于遗传算法GA的智能优化技术,评估不同工艺设计方案与铸造过程参数对壳体铸件质量的影响,分析在不同的冒口、冷铁和浇注温度条件... 使用Cast Designer铸造仿真分析软件,通过可铸性评估系统DFM,完成浇冒系统的辅助设计,然后使用DOE技术和基于遗传算法GA的智能优化技术,评估不同工艺设计方案与铸造过程参数对壳体铸件质量的影响,分析在不同的冒口、冷铁和浇注温度条件下得料率和缩孔量的关系。根据对DOE模拟结果的分析,发现顶冒口和侧冒口尺寸是影响得料率和缩孔量的关键因数,再利用遗传算法GA选择最佳设计方案和参数。通过帕累托曲线得到了生产壳体铸件的最优工艺方案。 展开更多
关键词 Cast designer 缩孔 质量控制 仿真分析
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Accelerated design of high-performance Mg-Mn-based magnesium alloys based on novel bayesian optimization
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作者 Xiaoxi Mi Lili Dai +4 位作者 Xuerui Jing Jia She Bjørn Holmedal Aitao Tang Fusheng Pan 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2024年第2期750-766,共17页
Magnesium(Mg),being the lightest structural metal,holds immense potential for widespread applications in various fields.The development of high-performance and cost-effective Mg alloys is crucial to further advancing ... Magnesium(Mg),being the lightest structural metal,holds immense potential for widespread applications in various fields.The development of high-performance and cost-effective Mg alloys is crucial to further advancing their commercial utilization.With the rapid advancement of machine learning(ML)technology in recent years,the“data-driven''approach for alloy design has provided new perspectives and opportunities for enhancing the performance of Mg alloys.This paper introduces a novel regression-based Bayesian optimization active learning model(RBOALM)for the development of high-performance Mg-Mn-based wrought alloys.RBOALM employs active learning to automatically explore optimal alloy compositions and process parameters within predefined ranges,facilitating the discovery of superior alloy combinations.This model further integrates pre-established regression models as surrogate functions in Bayesian optimization,significantly enhancing the precision of the design process.Leveraging RBOALM,several new high-performance alloys have been successfully designed and prepared.Notably,after mechanical property testing of the designed alloys,the Mg-2.1Zn-2.0Mn-0.5Sn-0.1Ca alloy demonstrates exceptional mechanical properties,including an ultimate tensile strength of 406 MPa,a yield strength of 287 MPa,and a 23%fracture elongation.Furthermore,the Mg-2.7Mn-0.5Al-0.1Ca alloy exhibits an ultimate tensile strength of 211 MPa,coupled with a remarkable 41%fracture elongation. 展开更多
关键词 Mg-Mn-based alloys HIGH-PERFORMANCE Alloy design Machine learning Bayesian optimization
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Electrolyte Design for Low‑Temperature Li‑Metal Batteries:Challenges and Prospects
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作者 Siyu Sun Kehan Wang +3 位作者 Zhanglian Hong Mingjia Zhi Kai Zhang Jijian Xu 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第2期365-382,共18页
Electrolyte design holds the greatest opportunity for the development of batteries that are capable of sub-zero temperature operation.To get the most energy storage out of the battery at low temperatures,improvements ... Electrolyte design holds the greatest opportunity for the development of batteries that are capable of sub-zero temperature operation.To get the most energy storage out of the battery at low temperatures,improvements in electrolyte chemistry need to be coupled with optimized electrode materials and tailored electrolyte/electrode interphases.Herein,this review critically outlines electrolytes’limiting factors,including reduced ionic conductivity,large de-solvation energy,sluggish charge transfer,and slow Li-ion transportation across the electrolyte/electrode interphases,which affect the low-temperature performance of Li-metal batteries.Detailed theoretical derivations that explain the explicit influence of temperature on battery performance are presented to deepen understanding.Emerging improvement strategies from the aspects of electrolyte design and electrolyte/electrode interphase engineering are summarized and rigorously compared.Perspectives on future research are proposed to guide the ongoing exploration for better low-temperature Li-metal batteries. 展开更多
关键词 Solid electrolyte interphase Li metal Low temperature Electrolyte design BATTERIES
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Review on the design of high-strength and hydrogen-embrittlement-resistant steels
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作者 Zhiyu Du Rongjian Shi +2 位作者 Xingyu Peng Kewei Gao Xiaolu Pang 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2024年第7期1572-1589,共18页
Given the carbon peak and carbon neutrality era,there is an urgent need to develop high-strength steel with remarkable hydrogen embrittlement resistance.This is crucial in enhancing toughness and ensuring the utilizat... Given the carbon peak and carbon neutrality era,there is an urgent need to develop high-strength steel with remarkable hydrogen embrittlement resistance.This is crucial in enhancing toughness and ensuring the utilization of hydrogen in emerging iron and steel materials.Simultaneously,the pursuit of enhanced metallic materials presents a cross-disciplinary scientific and engineering challenge.Developing high-strength,toughened steel with both enhanced strength and hydrogen embrittlement(HE)resistance holds significant theoretical and practical implications.This ensures secure hydrogen utilization and further carbon neutrality objectives within the iron and steel sector.Based on the design principles of high-strength steel HE resistance,this review provides a comprehensive overview of research on designing surface HE resistance and employing nanosized precipitates as intragranular hydrogen traps.It also proposes feasible recommendations and prospects for designing high-strength steel with enhanced HE resistance. 展开更多
关键词 hydrogen embrittlement surface design hydrogen traps nanosized precipitates
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Effect of bipolar-plates design on corrosion,mass and heat transfer in proton-exchange membrane fuel cells and water electrolyzers:A review
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作者 Jiuhong Zhang Xiejing Luo +2 位作者 Yingyu Ding Luqi Chang Chaofang Dong 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2024年第7期1599-1616,共18页
Attaining a decarbonized and sustainable energy system,which is the core solution to global energy issues,is accessible through the development of hydrogen energy.Proton-exchange membrane water electrolyzers(PEMWEs)ar... Attaining a decarbonized and sustainable energy system,which is the core solution to global energy issues,is accessible through the development of hydrogen energy.Proton-exchange membrane water electrolyzers(PEMWEs)are promising devices for hydrogen production,given their high efficiency,rapid responsiveness,and compactness.Bipolar plates account for a relatively high percentage of the total cost and weight compared with other components of PEMWEs.Thus,optimization of their design may accelerate the promotion of PEMWEs.This paper reviews the advances in materials and flow-field design for bipolar plates.First,the working conditions of proton-exchange membrane fuel cells(PEMFCs)and PEMWEs are compared,including reaction direction,operating temperature,pressure,input/output,and potential.Then,the current research status of bipolar-plate substrates and surface coatings is summarized,and some typical channel-rib flow fields and porous flow fields are presented.Furthermore,the effects of materials on mass and heat transfer and the possibility of reducing corrosion by improving the flow field structure are explored.Finally,this review discusses the potential directions of the development of bipolar-plate design,including material fabrication,flow-field geometry optimization using threedimensional printing,and surface-coating composition optimization based on computational materials science. 展开更多
关键词 bipolar-plates flow design mass and heat transfer CORROSION water electrolyzers fuel cells
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Additive manufactured osseointegrated screws with hierarchical design
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作者 Wenbo Yang Hao Chen +6 位作者 Haotian Bai Yifu Sun Aobo Zhang Yang Liu Yuchao Song Qing Han Jincheng Wang 《Bio-Design and Manufacturing》 SCIE EI CAS CSCD 2024年第2期206-235,共30页
Bone screws are devices used to fix implants or bones to bones.However,conventional screws are mechanically fixed with thread and often face long-term failure due to poor osseointegration.To improve osseointegration,s... Bone screws are devices used to fix implants or bones to bones.However,conventional screws are mechanically fixed with thread and often face long-term failure due to poor osseointegration.To improve osseointegration,screws are evolving from solid and smooth to porous and rough.Additive manufacturing(AM)offers a high degree of manufacturing freedom,enabling the preparation of predesigned screws that are porous and rough.This paper provides an overview of the problems currently faced by bone screws:long-term loosening and screw breakage.Next,advances in osseointegrated screws are summarized hierarchically(sub-micro,micro,and macro).At the sub-microscale level,we describe surface-modification techniques for enhancing osseointegration.At the micro level,we summarize the micro-design parameters that affect the mechanical and biological properties of porous osseointegrated screws,including porosity,pore size,and pore shape.In addition,we highlight three promising pore shapes:triply periodic minimal surface,auxetic structure with negative Poisson ratio,and the Voronoi structure.At the macro level,we outline the strategies of graded design,gradient design,and topology optimization design to improve the mechanical strength of porous osseointegrated screws.Simultaneously,this paper outlines advances in AM technology for enhancing the mechanical properties of porous osseointegrated screws.AM osseointegrated screws with hierarchical design are expected to provide excellent long-term fixation and the required mechanical strength. 展开更多
关键词 Bone screws Additive manufacturing Architecture design Surface modification
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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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Application of deep learning for informatics aided design of electrode materials in metal-ion batteries
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作者 Bin Ma Lisheng Zhang +5 位作者 Wentao Wang Hanqing Yu Xianbin Yang Siyan Chen Huizhi Wang Xinhua Liu 《Green Energy & Environment》 SCIE EI CAS CSCD 2024年第5期877-889,共13页
To develop emerging electrode materials and improve the performances of batteries,the machine learning techniques can provide insights to discover,design and develop battery new materials in high-throughput way.In thi... To develop emerging electrode materials and improve the performances of batteries,the machine learning techniques can provide insights to discover,design and develop battery new materials in high-throughput way.In this paper,two deep learning models are developed and trained with two feature groups extracted from the Materials Project datasets to predict the battery electrochemical performances including average voltage,specific capacity and specific energy.The deep learning models are trained with the multilayer perceptron as the core.The Bayesian optimization and Monte Carlo methods are applied to improve the prediction accuracy of models.Based on 10 types of ion batteries,the correlation coefficients are maintained above 0.9 compared to DFT calculation results and the mean absolute error of the prediction results for voltages of two models can reach 0.41 V and 0.20 V,respectively.The electrochemical performance prediction times for the two trained models on thousands of batteries are only 72.9 ms and 75.7 ms.Besides,the two deep learning models are applied to approach the screening of emerging electrode materials for sodium-ion and potassium-ion batteries.This work can contribute to a high-throughput computational method to accelerate the rational and fast materials discovery and design. 展开更多
关键词 Cathode materials Material design Electrochemical performance prediction Deep learning Metal-ion batteries
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Recent advances in cobalt phosphide-based materials for electrocatalytic water splitting:From catalytic mechanism and synthesis method to optimization design
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作者 Rongrong Deng Mengwei Guo +1 位作者 Chaowu Wang Qibo Zhang 《Nano Materials Science》 EI CAS CSCD 2024年第2期139-173,共35页
Electrochemical water splitting has long been considered an effective energy conversion technology for trans-ferring intermittent renewable electricity into hydrogen fuel,and the exploration of cost-effective and high... Electrochemical water splitting has long been considered an effective energy conversion technology for trans-ferring intermittent renewable electricity into hydrogen fuel,and the exploration of cost-effective and high-performance electrocatalysts is crucial in making electrolyzed water technology commercially viable.Cobalt phosphide(Co-P)has emerged as a catalyst of high potential owing to its high catalytic activity and durability in water splitting.This paper systematically reviews the latest advances in the development of Co-P-based materials for use in water splitting.The essential effects of P in enhancing the catalytic performance of the hydrogen evolution reaction and oxygen evolution reaction are first outlined.Then,versatile synthesis techniques for Co-P electrocatalysts are summarized,followed by advanced strategies to enhance the electrocatalytic performance of Co-P materials,including heteroatom doping,composite construction,integration with well-conductive sub-strates,and structure control from the viewpoint of experiment.Along with these optimization strategies,the understanding of the inherent mechanism of enhanced catalytic performance is also discussed.Finally,some existing challenges in the development of highly active and stable Co-P-based materials are clarified,and pro-spective directions for prompting the wide commercialization of water electrolysis technology are proposed. 展开更多
关键词 Co-P electrocatalysts Water splitting Hydrogen production Catalytic mechanism Synthesis technique Optimization design
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Quantum algorithm for minimum dominating set problem with circuit design
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作者 张皓颖 王绍轩 +2 位作者 刘新建 沈颖童 王玉坤 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第2期178-188,共11页
Using quantum algorithms to solve various problems has attracted widespread attention with the development of quantum computing.Researchers are particularly interested in using the acceleration properties of quantum a... Using quantum algorithms to solve various problems has attracted widespread attention with the development of quantum computing.Researchers are particularly interested in using the acceleration properties of quantum algorithms to solve NP-complete problems.This paper focuses on the well-known NP-complete problem of finding the minimum dominating set in undirected graphs.To expedite the search process,a quantum algorithm employing Grover’s search is proposed.However,a challenge arises from the unknown number of solutions for the minimum dominating set,rendering direct usage of original Grover’s search impossible.Thus,a swap test method is introduced to ascertain the number of iterations required.The oracle,diffusion operators,and swap test are designed with achievable quantum gates.The query complexity is O(1.414^(n))and the space complexity is O(n).To validate the proposed approach,qiskit software package is employed to simulate the quantum circuit,yielding the anticipated results. 展开更多
关键词 quantum algorithm circuit design minimum dominating set
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Rationally designing electrolyte additives for highly improving cyclability of LiNi_(0.5)Mn_(1.5)O_(4)/Graphite cells
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作者 Zhiyong Xia Kuan Zhou +8 位作者 Xiaoyan Lin Zhangyating Xie Qiurong Chen Xiaoqing Li Jie Cai Suli Li Hai Wang Mengqing Xu Weishan Li 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第4期266-275,共10页
High voltage is necessary for high energy lithium-ion batteries but difficult to achieve because of the highly deteriorated cyclability of the batteries.A novel strategy is developed to extend cyclability of a high vo... High voltage is necessary for high energy lithium-ion batteries but difficult to achieve because of the highly deteriorated cyclability of the batteries.A novel strategy is developed to extend cyclability of a high voltage lithium-ion battery,LiNi_(0.5)Mn_(1.5)O_(4)/Graphite(LNMO/Graphite)cell,which emphasizes a rational design of an electrolyte additive that can effectively construct protective interphases on anode and cathode and highly eliminate the effect of hydrogen fluoride(HF).5-Trifluoromethylpyridine-trime thyl lithium borate(LTFMP-TMB),is synthesized,featuring with multi-functionalities.Its anion TFMPTMB-tends to be enriched on cathode and can be preferentially oxidized yielding TMB and radical TFMP-.Both TMB and radical TFMP can combine HF and thus eliminate the detrimental effect of HF on cathode,while the TMB dragged on cathode thus takes a preferential oxidation and constructs a protective cathode interphase.On the other hand,LTFMP-TMB is preferentially reduced on anode and constructs a protective anode interphase.Consequently,a small amount of LTFMP-TMB(0.2%)in 1.0 M LiPF6in EC/DEC/EMC(3/2/5,wt%)results in a highly improved cyclability of LNMO/Graphite cell,with the capacity retention enhanced from 52%to 80%after 150 cycles at 0.5 C between 3.5 and 4.8 V.The as-developed strategy provides a model of designing electrolyte additives for improving cyclability of high voltage batteries. 展开更多
关键词 Electrolyte additive design and synthesis CYCLABILITY High voltage batteries Cathode and anode interphases
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