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RepBoTNet-CESA:An Alzheimer’s Disease Computer Aided Diagnosis Method Using Structural Reparameterization BoTNet and Cubic Embedding Self Attention
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作者 Xiabin Zhang Zhongyi Hu +1 位作者 Lei Xiao Hui Huang 《Computers, Materials & Continua》 SCIE EI 2024年第5期2879-2905,共27页
Various deep learning models have been proposed for the accurate assisted diagnosis of early-stage Alzheimer’s disease(AD).Most studies predominantly employ Convolutional Neural Networks(CNNs),which focus solely on l... Various deep learning models have been proposed for the accurate assisted diagnosis of early-stage Alzheimer’s disease(AD).Most studies predominantly employ Convolutional Neural Networks(CNNs),which focus solely on local features,thus encountering difficulties in handling global features.In contrast to natural images,Structural Magnetic Resonance Imaging(sMRI)images exhibit a higher number of channel dimensions.However,during the Position Embedding stage ofMulti Head Self Attention(MHSA),the coded information related to the channel dimension is disregarded.To tackle these issues,we propose theRepBoTNet-CESA network,an advanced AD-aided diagnostic model that is capable of learning local and global features simultaneously.It combines the advantages of CNN networks in capturing local information and Transformer networks in integrating global information,reducing computational costs while achieving excellent classification performance.Moreover,it uses the Cubic Embedding Self Attention(CESA)proposed in this paper to incorporate the channel code information,enhancing the classification performance within the Transformer structure.Finally,the RepBoTNet-CESA performs well in various AD-aided diagnosis tasks,with an accuracy of 96.58%,precision of 97.26%,and recall of 96.23%in the AD/NC task;an accuracy of 92.75%,precision of 92.84%,and recall of 93.18%in the EMCI/NC task;and an accuracy of 80.97%,precision of 83.86%,and recall of 80.91%in the AD/EMCI/LMCI/NC task.This demonstrates that RepBoTNet-CESA delivers outstanding outcomes in various AD-aided diagnostic tasks.Furthermore,our study has shown that MHSA exhibits superior performance compared to conventional attention mechanisms in enhancing ResNet performance.Besides,the Deeper RepBoTNet-CESA network fails to make further progress in AD-aided diagnostic tasks. 展开更多
关键词 Alzheimer CNN structural reparameterization multi head self attention computer aided diagnosis
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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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Preliminary Study on Overseas Applicability of Chinese Architectural Design Standards:Taking China-Aided Construction Projects in Asia Since the Belt and Road Initiative as Examples
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作者 Wei Chang Yifan Gao +1 位作者 Xiaofeng Guo Yingjie Zhu 《Journal of Architectural Research and Development》 2024年第3期1-7,共7页
This research takes China-aided construction projects in Asia since the Belt and Road Initiative as examples to explore the applicability of Chinese architectural design standards in other Asian countries.So far,the s... This research takes China-aided construction projects in Asia since the Belt and Road Initiative as examples to explore the applicability of Chinese architectural design standards in other Asian countries.So far,the standards demonstrated the highest applicability in South Asia is the best followed by Southeast Asia.Chinese architectural design standards for educational buildings showed the highest applicability,followed by office,medical,and sports buildings.This study puts forward some strategies to improve the applicability of Chinese architectural design standards.These strategies include integrating regionalism and local cultural traditions,optimizing energy efficiency,and aligning designs with local usage habits.This study serves as a reference for similar projects in the future. 展开更多
关键词 Chinese building design standards Overseas applicability China-aided construction Belt and Road Initiative
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Artificial intelligence for characterization of diminutive colorectal polyps:A feasibility study comparing two computer-aided diagnosis systems
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作者 Quirine Eunice Wennie van der Zander Ramon M Schreuder +9 位作者 Ayla Thijssen Carolus H J Kusters Nikoo Dehghani Thom Scheeve Bjorn Winkens Mirjam C M van der Ende-van Loon Peter H N de With Fons van der Sommen Ad A M Masclee Erik J Schoon 《Artificial Intelligence in Gastrointestinal Endoscopy》 2024年第1期11-22,共12页
BACKGROUND Artificial intelligence(AI)has potential in the optical diagnosis of colorectal polyps.AIM To evaluate the feasibility of the real-time use of the computer-aided diagnosis system(CADx)AI for ColoRectal Poly... BACKGROUND Artificial intelligence(AI)has potential in the optical diagnosis of colorectal polyps.AIM To evaluate the feasibility of the real-time use of the computer-aided diagnosis system(CADx)AI for ColoRectal Polyps(AI4CRP)for the optical diagnosis of diminutive colorectal polyps and to compare the performance with CAD EYE^(TM)(Fujifilm,Tokyo,Japan).CADx influence on the optical diagnosis of an expert endoscopist was also investigated.METHODS AI4CRP was developed in-house and CAD EYE was proprietary software provided by Fujifilm.Both CADxsystems exploit convolutional neural networks.Colorectal polyps were characterized as benign or premalignant and histopathology was used as gold standard.AI4CRP provided an objective assessment of its characterization by presenting a calibrated confidence characterization value(range 0.0-1.0).A predefined cut-off value of 0.6 was set with values<0.6 indicating benign and values≥0.6 indicating premalignant colorectal polyps.Low confidence characterizations were defined as values 40%around the cut-off value of 0.6(<0.36 and>0.76).Self-critical AI4CRP’s diagnostic performances excluded low confidence characterizations.RESULTS AI4CRP use was feasible and performed on 30 patients with 51 colorectal polyps.Self-critical AI4CRP,excluding 14 low confidence characterizations[27.5%(14/51)],had a diagnostic accuracy of 89.2%,sensitivity of 89.7%,and specificity of 87.5%,which was higher compared to AI4CRP.CAD EYE had a 83.7%diagnostic accuracy,74.2%sensitivity,and 100.0%specificity.Diagnostic performances of the endoscopist alone(before AI)increased nonsignificantly after reviewing the CADx characterizations of both AI4CRP and CAD EYE(AI-assisted endoscopist).Diagnostic performances of the AI-assisted endoscopist were higher compared to both CADx-systems,except for specificity for which CAD EYE performed best.CONCLUSION Real-time use of AI4CRP was feasible.Objective confidence values provided by a CADx is novel and self-critical AI4CRP showed higher diagnostic performances compared to AI4CRP. 展开更多
关键词 Artificial intelligence Colorectal polyp characterization computer aided diagnosis Diminutive colorectal polyps Optical diagnosis Self-critical artificial intelligence
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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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App Designer辅助教学方法探索与实践——以软件无线电课程为例
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作者 向新 刘宇峰 +2 位作者 梁源 王瑞 何林远 《中国现代教育装备》 2024年第19期148-151,共4页
软件无线电作为通信学科的必修课程,具有承上启下的重要作用。因课程原理抽象、理论公式复杂,学员在学习过程存在理解掌握难、实践应用难等问题。通过对当前软件无线电教学过程中存在的不足与困难进行分析,提出利用MATLAB App Designer... 软件无线电作为通信学科的必修课程,具有承上启下的重要作用。因课程原理抽象、理论公式复杂,学员在学习过程存在理解掌握难、实践应用难等问题。通过对当前软件无线电教学过程中存在的不足与困难进行分析,提出利用MATLAB App Designer辅助课程教学,从教学准备、课堂互动、自主实验、反馈提升四个方面开展课程教学改革。实践表明,该方法对于提升学员的工程思维、系统思维具有显著效果,同时可以增强学员理论联系实际的能力。 展开更多
关键词 软件无线电 MATLAB App designer 教学方法改革 理实结合
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The computer-aided design method of cabinet based on style imagery 被引量:2
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作者 沈张帆 薛澄岐 +3 位作者 王海燕 牛亚峰 邵将 张晶 《Journal of Southeast University(English Edition)》 EI CAS 2015年第3期369-374,共6页
Due to the practical problems of the high costs and the long development cycle of China’s cabinet production,a computer-aided design method of the cabinet based on style imagery is proposed.According to the principle... Due to the practical problems of the high costs and the long development cycle of China’s cabinet production,a computer-aided design method of the cabinet based on style imagery is proposed.According to the principle of the conjoint analysis method, the rough set theory and the weight coefficient of different components of the cabinet,a multi-dimensional model of style imagery to evaluate the cabinet is built. Then the related constants of style imagery are calculated and the cabinet components library is also built by the three-dimensional modeling.Finally,with recombinant technology and the mapping model between cabinet style and external characteristics,the prototype system based on Visual Studio is proposed.This system actualizes the bidirectional reasoning between product style imagery and the shape features,which can assist designers to produce more creative designs,greatly improve the efficiency of cabinet development and increase the profits of companies. 展开更多
关键词 CABINET computer-aided design style imagery component recombinant shape features
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Application of computer-aided engineering optimum design method in aluminum profile extrusion mould 被引量:8
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作者 帅词俊 肖刚 +1 位作者 倪正顺 钟掘 《Journal of Central South University of Technology》 2003年第1期64-68,共5页
The finite element analysis and the optimum design of aluminum profile extrusion mould were investigated using the ANSYS software and its parameterized modeling method. The optimum dimensions of the mould were obtaine... The finite element analysis and the optimum design of aluminum profile extrusion mould were investigated using the ANSYS software and its parameterized modeling method. The optimum dimensions of the mould were obtained. It is found that the stress distribution is very uneven, and the stress convergence is rather severe in the bridge of the aluminum profile extrusion mould. The optimum height of the mould is 70.527 mm, and the optimum radius of dividing holes are 70.182 mm and 80.663 mm. Increasing the height of the mould in the range of 61.282 mm to 70.422 mm can prolong its longevity, but when the height is over 70.422 mm, its longevity reduces. 展开更多
关键词 EXTRUSION MOULD computer-aided ENGINEERING OPTIMUM design ANSYS
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Computer Aided Composition Design of Prehardened-Mould Steel for Plastic 被引量:4
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作者 YanlinHE LinLI +1 位作者 XiaochunWU PatrickWOLLANTS 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2004年第1期71-74,共4页
The improvement of machining behavior of prehardened-mould steel for plastic is realized by using computer-aided composition design in this work. The results showed that the matrix composition of large sectional preha... The improvement of machining behavior of prehardened-mould steel for plastic is realized by using computer-aided composition design in this work. The results showed that the matrix composition of large sectional prehardened mould steel for plastic markedly influences the precipitation of non-metallic inclusion and the control of composition aided by Thermo-Calc software package minimizes the amount of detrimental oxide inclusion. In addition the modification of calcium is optimized in the light of composition design. 展开更多
关键词 Prehardened-mould steel for plastic PRECIPITATION computer-aided composition design Thermo-Calc software
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Computer-aided Design and Custom-made Guide in Corrective Osteotomy for Complex Femoral Deformity 被引量:4
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作者 柴伟 许猛 +4 位作者 张国强 张立海 苟文隆 倪明 陈继营 《Journal of Huazhong University of Science and Technology(Medical Sciences)》 SCIE CAS 2013年第3期398-405,共8页
Summary: Preoperative planning of corrective osteotomy with traditional radiography has limitations in regards to determining the ideal osteotomy location and orientation in three-dimensional femoral de- formities. T... Summary: Preoperative planning of corrective osteotomy with traditional radiography has limitations in regards to determining the ideal osteotomy location and orientation in three-dimensional femoral de- formities. Though a successful operation can be planned preoperatively, intraoperative contingencies might adhere to the procedural plan in the performance of operation. To efficiently perform a planned procedure, proposed is a design to implement three-dimensional reconstruction photography, based on computer-tomography (CT) scan. A custom-made guide was designed to navigate the osteotomy as planned, and additionally, a personalized intramedullary nail was used for fixation after osteotomy. Three-dimensional (3D) photography of deformed femur was established based on the CT dataset and transferred into 3D photography processing software for further planning. Osteotomy planes were de- signed and adjusted at deformity sites to correct the 3D deformities. The methodology of a custom-made osteotomy guide was introduced in femoral corrective osteotomy, for the first time, to navigate the op- eration as planned. After the virtual osteotomy and reduction of bone segments, the parameters of a custom-made intramedullary nail were measured for manufacturing. Findings Virtual operation in computer shows complete correction of the 3D deformity. The osteotomy guide, obtained by rapid-prototyping techniques, navigates mimicking surgery on rapid-prototyping model of the involved femur as planned. Internal fixation was achieved using the custom-made intramedullary nail. Interpreta- tion three-dimensional visualization introduces an advantage in preoperative planning for corrective os- teotomy of 3D femoral deformity, and the custom-made osteotomy guide is crucial to realize such a de- liberate plan during the actual procedures. The internal fixator, such as an intramedullary nail, can be modified or personalized for fixation in unique cases. 展开更多
关键词 compater-aided design femoral deformity corrective osteotomy custom-made guide in- tramedullary nail
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Computer Aided Design Technology for Convex Faceted Gem Cuts Based on the Half-Edge Data Structure 被引量:1
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作者 Linhong Xu Xiangnan Li +3 位作者 Jianhua Rao Yuan Han Zhipeng Li Jichun Li 《Journal of Beijing Institute of Technology》 EI CAS 2019年第3期585-597,共13页
Aiming to increase the efficiency of gem design and manufacturing, a new method in computer-aided-design (CAD) of convex faceted gem cuts (CFGC) based on Half-edge data structure (HDS), including the algorithms for th... Aiming to increase the efficiency of gem design and manufacturing, a new method in computer-aided-design (CAD) of convex faceted gem cuts (CFGC) based on Half-edge data structure (HDS), including the algorithms for the implementation is presented in this work. By using object-oriented methods, geometrical elements of CFGC are classified and responding geometrical feature classes are established. Each class is implemented and embedded based on the gem process. Matrix arithmetic and analytical geometry are used to derive the affine transformation and the cutting algorithm. Based on the demand for a diversity of gem cuts, CAD functions both for free-style faceted cuts and parametric designs of typical cuts and visualization and human-computer interactions of the CAD system including two-dimensional and three-dimensional interactions have been realized which enhances the flexibility and universality of the CAD system. Furthermore, data in this CAD system can also be used directly by the gem CAM module, which will promote the gem CAD/CAM integration. 展开更多
关键词 Half-edge data structure CONVEX faceted GEM CUTS (CFGC) computer aided design (CAD)
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Computer-aided designing and manufacturing of advanced steels 被引量:1
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作者 LI Lin HE Yanlin +3 位作者 B.C. De Cooman P. Wollants S. G. Huang J. Vleugels 《Rare Metals》 SCIE EI CAS CSCD 2006年第5期407-411,共5页
Suitable optimization and simulation were performed using a powerful software package with a mature database as well as modem measurement facilities, which led to the successful designing and manufacturing of advanced... Suitable optimization and simulation were performed using a powerful software package with a mature database as well as modem measurement facilities, which led to the successful designing and manufacturing of advanced steels. In the course of designing, the composition of a large section of prehardened mold steel for plastics was estimated so as to lower the quantities of oxide inclusions to change the type of carbides and to raise the machinability. The composition and process were adjusted to obtain satisfactory surface quality for the prevailing galvanization in transformation-induced plasticity (TRIP) steel. The refuting process of low-carbon steel was simulated in the light of both Thermo-Calc and Factsage. Thermodynamic and kinetic analyses were always conducted during the test and the procedure. 展开更多
关键词 material science advanced steel computer-aided design REFINING THERMODYNAMICS KINETICS
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Computer-Aided Design of Some Advanced Steels and Cemented Carbides 被引量:2
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作者 LI Lin ZHANG Mei +2 位作者 HE Yan-lin De Cooman Bruno Wollants Patrick 《Journal of Iron and Steel Research International》 SCIE CAS CSCD 2005年第6期42-48,共7页
Thermodynamic and kinetic study on TRIP (transformation induced plasticity) steels, cemented carbides and mold steel for plastics were carried out in order to design modern advanced materials. With the sublattice mo... Thermodynamic and kinetic study on TRIP (transformation induced plasticity) steels, cemented carbides and mold steel for plastics were carried out in order to design modern advanced materials. With the sublattice model, equilibrium compositions of ferrite and austenite phases in TRIP steels, as well as volume fraction of austenite at inter-critical temperatures for different time were calculated. Concentration profiles of carbon, manganese, aluminum and silicon in the steels were also estimated in the lattice fixed frame of reference. The effect of Si and Mn on TRIP was discussed according to thermodynamic and kinetic analyses. In order to understand and produce the graded nanophase structure of cemented carbides, miscellaneous phases in the M-Co-C (M= Ti, Ta, Nh) systems and Co-V-C system were modeled. Solution parameters and thermodynamic: properties were listed in detail. The improvement of machining behavior of prehardened mould steel for plastics was obtained by computer-aided composition design. The results showed that the matrix composition of large-section prehardened mould steel for plastic markedly influences the precipitation of non-metallic inclusion and the composition control by the aid of Thermo-Calc software package minimizes the amount of detrimental oxide inclusion. In addition, the modification of calcium was optimized in composition design. 展开更多
关键词 computer-aided composition design TRIP steel cemented carbide prehardened mould steel concentration profile THERMODYNAMIC KINETIC equilibrium composition
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A Computer-aided Design System for Framed-mould in Autoclave Processing 被引量:1
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作者 Tian-Guo Jin Feng-Yang Bi 《International Journal of Automation and computing》 EI 2010年第3期261-270,共10页
The general computer-aided design (CAD) software cannot meet the mould design requirement of the autoclave process for composites, because many parameters such as temperature and pressure should be considered in the... The general computer-aided design (CAD) software cannot meet the mould design requirement of the autoclave process for composites, because many parameters such as temperature and pressure should be considered in the mould design process, in addition to the material and geometry of the part. A framed-mould computer-aided design system (FMCAD) used in the autoclave moulding process is proposed in this paper. A function model of the software is presented, in which influence factors such as part structure, mould structure, and process parameters are considered; a design model of the software is established using object oriented (O-O) technology to integrate the stiffness calculation, temperature field calculation, and deformation field calculation of mould in the design, and in the design model, a hybrid model of mould based on calculation feature and form feature is presented to support those calculations. A prototype system is developed, in which a mould design process wizard is built to integrate the input information, calculation, analysis, data storage, display, and design results of mould design. Finally, three design examples are used to verify the prototype. 展开更多
关键词 Framed-mould autoclave processing computer-aided design (CAD) temperature field analyzing hybrid model.
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Inverse design of mechanical metamaterial achieving a prescribedconstitutive curve 被引量:1
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作者 Zongliang Du Tanghuai Bian +4 位作者 Xiaoqiang Ren Yibo Jia Shan Tang Tianchen Cui Xu Guo 《Theoretical & Applied Mechanics Letters》 CAS CSCD 2024年第1期16-22,共7页
Besides exhibiting excellent capabilities such as energy absorption,phase-transforming metamaterials offer a vast design space for achieving nonlinear constitutive relations.This is facilitated by switching between di... Besides exhibiting excellent capabilities such as energy absorption,phase-transforming metamaterials offer a vast design space for achieving nonlinear constitutive relations.This is facilitated by switching between different patterns under deformation.However,the related inverse design problem is quite challenging,due to the lack of appropriate mathematical formulation and the convergence issue in the post-buckling analysis of intermediate designs.In this work,periodic unit cells are explicitly described by the moving morphable voids method and effectively analyzed by eliminating the degrees of freedom in void regions.Furthermore,by exploring the Pareto frontiers between error and cost,an inverse design formulation is proposed for unit cells.This formulation aims to achieve a prescribed constitutive curve and is validated through numerical examples and experimental results.The design approach presented here can be extended to the inverse design of other types of mechanical metamaterials with prescribed nonlinear effective properties. 展开更多
关键词 METAMATERIAL Pattern-transformation Constitutive curve Inverse design
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Design Principles and Mechanistic Understandings of Non-Noble-Metal Bifunctional Electrocatalysts for Zinc-Air Batteries 被引量:1
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作者 Yunnan Gao Ling Liu +10 位作者 Yi Jiang Dexin Yu Xiaomei Zheng Jiayi Wang Jingwei Liu Dan Luo Yongguang Zhang Zhenjia Shi Xin Wang Ya‑Ping Deng Zhongwei Chen 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第9期13-48,共36页
Zinc-air batteries(ZABs)are promising energy storage systems because of high theoretical energy density,safety,low cost,and abundance of zinc.However,the slow multi-step reaction of oxygen and heavy reliance on noble-... Zinc-air batteries(ZABs)are promising energy storage systems because of high theoretical energy density,safety,low cost,and abundance of zinc.However,the slow multi-step reaction of oxygen and heavy reliance on noble-metal catalysts hinder the practical applications of ZABs.Therefore,feasible and advanced non-noble-metal elec-trocatalysts for air cathodes need to be identified to promote the oxygen catalytic reaction.In this review,we initially introduced the advancement of ZABs in the past two decades and provided an overview of key developments in this field.Then,we discussed the work-ing mechanism and the design of bifunctional electrocatalysts from the perspective of morphology design,crystal structure tuning,interface strategy,and atomic engineering.We also included theoretical studies,machine learning,and advanced characterization technologies to provide a comprehensive understanding of the structure-performance relationship of electrocatalysts and the reaction pathways of the oxygen redox reactions.Finally,we discussed the challenges and prospects related to designing advanced non-noble-metal bifunctional electrocatalysts for ZABs. 展开更多
关键词 Zinc-air batteries Bifunctional electrocatalysts design principles Mechanistic understandings
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Deep Insight of Design,Mechanism,and Cancer Theranostic Strategy of Nanozymes 被引量:1
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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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Alloy design for laser powder bed fusion additive manufacturing:a critical review 被引量:1
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作者 Zhuangzhuang Liu Qihang Zhou +4 位作者 Xiaokang Liang Xiebin Wang Guichuan Li Kim Vanmeensel Jianxin Xie 《International Journal of Extreme Manufacturing》 SCIE EI CAS CSCD 2024年第2期29-63,共35页
Metal additive manufacturing(AM)has been extensively studied in recent decades.Despite the significant progress achieved in manufacturing complex shapes and structures,challenges such as severe cracking when using exi... Metal additive manufacturing(AM)has been extensively studied in recent decades.Despite the significant progress achieved in manufacturing complex shapes and structures,challenges such as severe cracking when using existing alloys for laser powder bed fusion(L-PBF)AM have persisted.These challenges arise because commercial alloys are primarily designed for conventional casting or forging processes,overlooking the fast cooling rates,steep temperature gradients and multiple thermal cycles of L-PBF.To address this,there is an urgent need to develop novel alloys specifically tailored for L-PBF technologies.This review provides a comprehensive summary of the strategies employed in alloy design for L-PBF.It aims to guide future research on designing novel alloys dedicated to L-PBF instead of adapting existing alloys.The review begins by discussing the features of the L-PBF processes,focusing on rapid solidification and intrinsic heat treatment.Next,the printability of the four main existing alloys(Fe-,Ni-,Al-and Ti-based alloys)is critically assessed,with a comparison of their conventional weldability.It was found that the weldability criteria are not always applicable in estimating printability.Furthermore,the review presents recent advances in alloy development and associated strategies,categorizing them into crack mitigation-oriented,microstructure manipulation-oriented and machine learning-assisted approaches.Lastly,an outlook and suggestions are given to highlight the issues that need to be addressed in future work. 展开更多
关键词 laser powder bed fusion alloy design PRINTABILITY crack mitigation
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Electrolyte Design for Low‑Temperature Li‑Metal Batteries:Challenges and Prospects 被引量:1
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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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Molecular Mechanism and Molecular Design of Lubricating Oil Antioxidants 被引量:1
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作者 Su Shuo Long Jun +2 位作者 Duan Qinghua Zhou Han Zhao Yi 《China Petroleum Processing & Petrochemical Technology》 SCIE CAS CSCD 2024年第2期135-145,共11页
To overcome the limitations of traditional experimental“trial and error”methods in lubricant additive design,a new molecular design method based on molecular structure parameters is established here.The molecular me... To overcome the limitations of traditional experimental“trial and error”methods in lubricant additive design,a new molecular design method based on molecular structure parameters is established here.The molecular mechanism of the antioxidant reaction of hindered phenol,diphenylamine,and alkyl sulfide are studied via molecular simulations.Calculation results show that the strong electron-donating ability and high hydrogen-donating activity of the antioxidant molecule and the low hydrogen-abstracting activity of free radicals formed after dehydrogenation are the internal molecular causes of the shielding of phenol and diphenylamine from scavenging peroxy free radicals,and the strong electron-donating ability is the internal molecular cause of the high activity of thioether in decomposing alkyl hydrogen peroxide.Based on this antioxidant molecular mechanism,a molecular design rule of antioxidant is proposed,namely“high EHOMO,large Q(S),low bond dissociation energy BDE(O—H)and BDE(N—H)”.Two new antioxidants,PAS-I and PAS-II,are designed and prepared by chemical bonding of hindered phenol,diphenylamine,and sulfur atoms.Experimental results show that these antioxidants both have excellent antioxidant effects in lubricating oil,and that PAS-II is the superior antioxidant,consistent with theoretical predictions. 展开更多
关键词 lubricating oil ANTIOXIDANT molecular mechanism molecular design antioxidant performance
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