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Product family modeling technology for customized cosmetic packaging design based on basic-element theory 被引量:1
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作者 Tao Chen Ding-Bang Luh Jinguang Wang 《Journal of dermatologic science and cosmetic technology》 2024年第1期2-12,共11页
Background:As the market demands change,SMEs(small and medium-sized enterprises)have long faced many design issues,including high costs,lengthy cycles,and insufficient innovation.These issues are especially noticeable... Background:As the market demands change,SMEs(small and medium-sized enterprises)have long faced many design issues,including high costs,lengthy cycles,and insufficient innovation.These issues are especially noticeable in the domain of cosmetic packaging design.Objective:To explore innovative product family modeling methods and configuration design processes to improve the efficiency of enterprise cosmetic packaging design and develop the design for mass customization.Methods:To accomplish this objective,the basic-element theory has been introduced and applied to the design and development system of the product family.Results:By examining the mapping relationships between the demand domain,functional domain,technology domain,and structure domain,four interrelated models have been developed,including the demand model,functional model,technology model,and structure model.Together,these models form the mechanism and methodology of product family modeling,specifically for cosmetic packaging design.Through an analysis of a case study on men’s cosmetic packaging design,the feasibility of the proposed product family modeling technology has been demonstrated in terms of customized cosmetic packaging design,and the design efficiency has been enhanced.Conclusion:The product family modeling technology employs a formalized element as a module configuration design language,permeating throughout the entire development cycle of cosmetic packaging design,thus facilitating a structured and modularized configuration design process for the product family system.The application of the basic-element principle in product family modeling technology contributes to the enrichment of the research field surrounding cosmetic packaging product family configuration design,while also providing valuable methods and references for enterprises aiming to elevate the efficiency of cosmetic packaging design for the mass customization product model. 展开更多
关键词 Packaging design Cosmetic packaging Product family modeling technology Basic-element theory design for mass customization
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OptoGPT: A foundation model for inverse design in optical multilayer thin film structures
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作者 Taigao Ma Haozhu Wang L.Jay Guo 《Opto-Electronic Advances》 SCIE EI CAS CSCD 2024年第7期4-16,共13页
Optical multilayer thin film structures have been widely used in numerous photonic applications.However,existing inverse design methods have many drawbacks because they either fail to quickly adapt to different design... Optical multilayer thin film structures have been widely used in numerous photonic applications.However,existing inverse design methods have many drawbacks because they either fail to quickly adapt to different design targets,or are difficult to suit for different types of structures,e.g.,designing for different materials at each layer.These methods also cannot accommodate versatile design situations under different angles and polarizations.In addition,how to benefit practical fabrications and manufacturing has not been extensively considered yet.In this work,we introduce OptoGPT(Opto Generative Pretrained Transformer),a decoder-only transformer,to solve all these drawbacks and issues simultaneously. 展开更多
关键词 multilayer thin film structure inverse design foundation models deep learning structural color
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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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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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A novel Ti-5.55Al-6.70Zr-1.50V-0.70Mo-3.41Nb-0.21Si alloy designed using cluster-plus-glue-atom model for laser additive manufacturing 被引量:1
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作者 Tian-yu Liu Yan-chun Lou +5 位作者 Shuang Zhang Zhi-hao Zhu Jun Zhao Shi-bing Liu Kun Shi Ning Zhao 《China Foundry》 SCIE CAS CSCD 2023年第5期414-422,共9页
A novel Ti-5.55Al-6.70Zr-1.50V-0.70Mo-3.41Nb-0.21Si alloy was designed using the cluster formula approach(cluster-plus-glue-atom model)and prepared by laser melting deposition(LMD).Its composition formula 12[Al-Ti_(12... A novel Ti-5.55Al-6.70Zr-1.50V-0.70Mo-3.41Nb-0.21Si alloy was designed using the cluster formula approach(cluster-plus-glue-atom model)and prepared by laser melting deposition(LMD).Its composition formula 12[Al-Ti_(12)](AlTi_(2))+5[Al_(0.8)Si_(0.2)-Ti_(12)Zr_(2)](V_(0.8)Mo_(0.2)Nb_(1)Ti)features an enhancedβ-Ti via co-alloying of Zr,V,Mo,Nb and Si.The experimental results show that the cluster formula ofαandβphases in the novel alloy are respectivelyα-[Al-Ti_(11.5)Zr_(0.5)](Al_(1)Ti_(2))andβ-[Al_(0.8)Si_(0.2)-Ti_(13.2)Zr_(0.8)](V_(1)Mo_(0.4)Nb_(1.6)),both containing Zr elements.The fitted composition via the α andβphase cluster formulas has little difference with the actual alloy composition,suggesting that the validity of cluster-plus-glue-atom model in the alloy composition design.After hot isostatic pressing(HIP),both the Ti-6Al-4V and the novel alloy by LMD are characterized by prior-βcolumnar grains,while the typical<100>texture disappears.Compared with Ti-6Al-4V,Ti-5.55Al-6.70Zr-1.50V-0.70Mo-3.41Nb-0.21Si alloy exhibits a combination of higher strength(1,056 MPa)and higher ductility(14%)at room temperature and higher strength(580 MPa)at 550℃ after HIP,and can potentially serves as LMD materials. 展开更多
关键词 additive manufacturing laser melting deposition novel titanium alloy composition design cluster-plus-glue-atom model
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A Custom Manipulator for Dental Implantation Through Model-Based Design 被引量:1
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作者 Anitha Govindhan Karnam Anantha Sunitha Sivanathan Kandhasamy 《Intelligent Automation & Soft Computing》 SCIE 2023年第1期351-365,共15页
This paper presents a Model-Based Design(MBD)approach for the design and control of a customized manipulator intended for drilling and position-ing of dental implants accurately with minimal human intervention.While p... This paper presents a Model-Based Design(MBD)approach for the design and control of a customized manipulator intended for drilling and position-ing of dental implants accurately with minimal human intervention.While performing an intra-oral surgery for a prolonged duration within a limited oral cavity,the tremor of dentist's hand is inevitable.As a result,wielding the drilling tool and inserting the dental implants safely in accurate position and orientation is highly challenging even for experienced dentists.Therefore,we introduce a customized manipulator that is designed ergonomically by taking in to account the dental chair specifications and anthropomorphic data such that it can be readily mounted onto the existing dental chair.The manipulator can be used to drill holes for dental inserts and position them with improved accuracy and safety.Further-more,a thorough multi-body motion analysis of the manipulator was carried out by creating a virtual prototype of the manipulator and simulating its controlled movements in various scenarios.The overall design was prepared and validated in simulation using Solid works,MATLAB and Simulink through Model Based Design(MBD)approach.The motion simulation results indicate that the manipulator could be built as a prototype readily. 展开更多
关键词 model based design multi-body motion simulation custom manipulator orthodontic implants mathematical approach
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Integrated computer-aided formulation design:A case study of andrographolide/cyclodextrin ternary formulation 被引量:3
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作者 Haoshi Gao Yan Su +6 位作者 Wei Wang Wei Xiong Xiyang Sun Yuanhui Ji Hua Yu Haifeng Li Defang Ouyang 《Asian Journal of Pharmaceutical Sciences》 SCIE CAS 2021年第4期494-507,共14页
Current formulation development strongly relies on trial-and-error experiments in the laboratory by pharmaceutical scientists,which is time-consuming,high cost and waste materials.This research aims to integrate vario... Current formulation development strongly relies on trial-and-error experiments in the laboratory by pharmaceutical scientists,which is time-consuming,high cost and waste materials.This research aims to integrate various computational tools,including machine learning,molecular dynamic simulation and physiologically based absorption modeling(PBAM),to enhance andrographolide(AG)/cyclodextrins(CDs)formulation design.The light GBM prediction model we built before was utilized to predict AG/CDs inclusion's binding free energy.AG/γ-CD inclusion complexes showed the strongest binding affinity,which was experimentally validated by the phase solubility study.The molecular dynamic simulation was used to investigate the inclusion mechanism between AG andγ-CD,which was experimentally characterized by DSC,FTIR and NMR techniques.PBAM was applied to simulate the in vivo behavior of the formulations,which were validated by cell and animal experiments.Cell experiments revealed that the presence of D-α-Tocopherol polyethylene glycol succinate(TPGS)significantly increased the intracellular uptake of AG in MDCKMDR1 cells and the absorptive transport of AG in MDCK-MDR1 monolayers.The relative bioavailability of the AG-CD-TPGS ternary system in rats was increased to 2.6-fold and 1.59-fold compared with crude AG and commercial dropping pills,respectively.In conclusion,this is the first time to integrate various computational tools to develop a new AG-CD-TPGS ternary formulation with significant improvement of aqueous solubility,dissolution rate and bioavailability.The integrated computational tool is a novel and robust methodology to facilitate pharmaceutical formulation design. 展开更多
关键词 Integrated computer-aided formulation design Machine learning Molecular dynamic simulation Physiologically based absorption modeling ANDROGRAPHOLIDE Cyclodextrins
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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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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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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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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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Scavenging Microwave Wireless Power:A Unified Model,Rectenna Design Automation,and Cutting-Edge Techniques
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作者 Si-Ping Gao Jun-Hui Ou +1 位作者 Xiuyin Zhang Yongxin Guo 《Engineering》 SCIE EI CAS CSCD 2023年第11期32-48,共17页
While sufficient review articles exist on inductive short-range wireless power transfer(WPT),long-haul microwave WPT(MWPT)for solar power satellites,and ambient microwave wireless energy harvesting(MWEH)in urban areas... While sufficient review articles exist on inductive short-range wireless power transfer(WPT),long-haul microwave WPT(MWPT)for solar power satellites,and ambient microwave wireless energy harvesting(MWEH)in urban areas,few studies focus on the fundamental modeling and related design automation of receiver systems.This article reviews the development of MWPT and MWEH receivers,with a focus on rectenna design automation.A novel rectifier model capable of accurately modeling the rectification process under both high and low input power is presented.The model reveals the theoretical boundary of radio frequency-to-direct current(dc)power conversion efficiency and,most importantly,enables an automated system design.The automated rectenna design flow is sequential,with the minimal engagement of iterative optimization.It covers the design automation of every module(i.e.,rectifiers,matching circuits,antennae,and dc–dc converters).Scaling-up of the technique to large rectenna arrays is also possible,where the challenges in array partitioning and power combining are briefly discussed.In addition,several cutting-edge rectenna techniques for MWPT and MWEH are reviewed,including the dynamic range extension technique,the harmonics-based retro-directive technique,and the simultaneous wireless information and power transfer technique,which can be good complements to the presented automated design methodology. 展开更多
关键词 Microwave wireless power transfer Microwave wireless energy harvesting Unified Rectifier model Automated rectenna design Emerging rectenna techniques
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A Novel Human Antibody,HF,against HER2/erb-B2 Obtained by a Computer-Aided Antibody Design Method 被引量:1
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作者 Chunxia Qiao Ming Lv +8 位作者 Xinying Li Xiaoling Lang Shouqin Lv Mian Long Yan Li Shusheng Geng Zhou Lin Beifen Shen Jiannan Feng 《Engineering》 SCIE EI 2021年第11期1566-1576,共11页
Fully human antibodies have minimal immunogenicity and safety profiles.At present,most potential antibody drugs in clinical trials are humanized or fully human.Human antibodies are mostly generated using the phage dis... Fully human antibodies have minimal immunogenicity and safety profiles.At present,most potential antibody drugs in clinical trials are humanized or fully human.Human antibodies are mostly generated using the phage display method(in vitro)or by transgenic mice(in vivo);other methods include B lymphocyte immortalization,human–human hybridoma,and single-cell polymerase chain reaction.Here,we describe a structure-based computer-aided de novo design technology for human antibody generation.Based on the complex structure of human epidermal growth factor receptor 2(HER2)/Herceptin,we first designed six short peptides targeting the potential epitope of HER2 recognized by Herceptin.Next,these peptides were set as complementarity determining regions in a suitable immunoglobulin frame,giving birth to a novel anti-HER2 antibody named "HF,"which possessed higher affinity and more effective anti-tumor activity than Herceptin.Our work offers a useful tool for the quick design and selection of novel human antibodies for basic mechanical research as well as for imaging and clinical applications in immune-related diseases,such as cancer and infectious diseases. 展开更多
关键词 HER2/erb-B2 Human antibody computer-aided design
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Model Design and Development of a Telescopic Palm Fruit Harvester
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作者 Peter Okechukwu Chikelu 《Modern Mechanical Engineering》 CAS 2023年第1期1-20,共20页
This research paper presents a comprehensive conceptual design approach for the development of a telescopic machine system, which is portable and will provide a safe method of harvesting palm fruits. For this machine ... This research paper presents a comprehensive conceptual design approach for the development of a telescopic machine system, which is portable and will provide a safe method of harvesting palm fruits. For this machine system development, the material for each component of the machine system was first selected, the boom length, maximum boom angle, force and stroke length of each hydraulic cylinder, the hydraulic pump pressure, base weight, permissible weight of the cutting system and power required were then calculated in the design analysis. Furthermore, from the calculated parameters, the model of the system was created using SolidWorks engineering software, the model was developed and tested. The result shows that the cutting time of the system for one bunch of palm fruit was longer when compared to conventional systems. It was concluded that though the machine is maintenance friendly and portable, further improvements in its design are necessary so as to develop a system that will give desirable economic output at a shorter time. 展开更多
关键词 design model TELESCOPIC Palm Fruit Harvester BOOM MAST Hydraulic Cylinder Solidworks
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A Method for Solving Computer-Aided Product Design Optimization Problem Based on Back Propagation Neural Network 被引量:1
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作者 周祥 何小荣 陈丙珍 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2004年第4期510-514,共5页
Because of the powerful mapping ability, back propagation neural network (BP-NN) has been employed in computer-aided product design (CAPD) to establish the property prediction model. The backward problem in CAPD is to... Because of the powerful mapping ability, back propagation neural network (BP-NN) has been employed in computer-aided product design (CAPD) to establish the property prediction model. The backward problem in CAPD is to search for the appropriate structure or composition of the product with desired property, which is an optimization problem. In this paper, a global optimization method of using the a BB algorithm to solve the backward problem is presented. In particular, a convex lower bounding function is constructed for the objective function formulated with BP-NN model, and the calculation of the key parameter a is implemented by recurring to the interval Hessian matrix of the objective function. Two case studies involving the design of dopamine β-hydroxylase (DβH) inhibitors and linear low density polyethylene (LLDPE) nano composites are investigated using the proposed method. 展开更多
关键词 computer-aided product design (CAPD) back propagation neural network (BP-NN) a BB algorithm convex lower bounding function interval Hessian matrix
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The Study of Optimizing Reservoir Model Using Experimental Design in Stochastic Models
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作者 Huan Wang Xiaojun Jiang 《Journal of Civil Engineering and Architecture》 2023年第3期145-151,共7页
In response to the main problems in commonly used model selection methods,a method was proposed to apply the concept of experimental design to the optimization of uncertain reservoir models.Firstly,based on the actual... In response to the main problems in commonly used model selection methods,a method was proposed to apply the concept of experimental design to the optimization of uncertain reservoir models.Firstly,based on the actual situation of the oil field,the uncertain variables were determined that affect the geological reserves of the model and their possible range of variation,and experimental design was used to determine the modeling plan.Then,multiple geological models were established and reserves were calculated,and multiple regression was performed between uncertain variables and the corresponding geological reserves of the model.Finally,Monte Carlo simulation technology was applied to determine the parameters of the P10,P50,and P90 models for probabilistic reserves,and P10,P50,and P90 models were established.This method is not only more objective and time-saving in the application process,but also can determine the main geological variables that affect geological reserves,providing a new idea for evaluating the uncertainty of geological reserves. 展开更多
关键词 Uncertainty evaluation experimental design random modeling model optimization
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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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基于Modelica的飞行器多专业统一模型研究
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作者 滑勇之 赵博 沈重 《计算机仿真》 2024年第7期85-88,262,共5页
结合以飞行器系统为代表的现代航天产品在研制过程中面临的的挑战,针对在总体设计阶段的验证与分析需求,采用多专业统一建模语言Modelica构建了飞行器各主要系统的模型,通过模型的集成仿真,实现了飞行器系统在总体设计阶段的验证。再基... 结合以飞行器系统为代表的现代航天产品在研制过程中面临的的挑战,针对在总体设计阶段的验证与分析需求,采用多专业统一建模语言Modelica构建了飞行器各主要系统的模型,通过模型的集成仿真,实现了飞行器系统在总体设计阶段的验证。再基于所构建的飞行器模型,进行实时代码生成,进而实现了信号级实时仿真系统,并开展了快速控制原型系统仿真。以上工作为MBSE方法在飞行器系统设计过程中进行了探索与铺垫。 展开更多
关键词 总体设计阶段 模型 信号级仿真
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Dynamic-based model for calculating the boulder impact force in debris flow
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作者 YANG Chaoping ZHANG Shaojie +2 位作者 YIN Yueping YANG Hongjuan WEI Fangqiang 《Journal of Mountain Science》 SCIE CSCD 2024年第6期1930-1940,共11页
The boulder impact force in debris flow is generally calculated by static methods such as the cantilever beam models.However,these methods cannot describe the dynamic scenario of boulder collision on structures,so the... The boulder impact force in debris flow is generally calculated by static methods such as the cantilever beam models.However,these methods cannot describe the dynamic scenario of boulder collision on structures,so the inertia and damping effects of the structures are not involved causing an overestimation on the boulder impact force.In order to address this issue,a dynamic-based model for calculating the boulder impact force of a debris flow was proposed in this study,and the dynamic characteristics of a cantilever beam with multiple degrees of freedom under boulder collision were investigated.By using the drop-weight method to simulate boulders within debris flow,seven experiments of drop-weight impacting the cantilever beam were used to calibrate the error of the dynamicbased model.Results indicate that the dynamic-based model is able to reconstruct the impact force history on the cantilever beam during impact time and the error of dynamic-based model is 15.3%in calculating boulder impact force,significantly outperforming the cantilever beam model’s error of 285%.Therefore,the dynamic-based model can overcome the drawbacks of the static-based models and provide a more reliable theoretical foundation for the engineering design of debris flow control structures. 展开更多
关键词 Debris flow Impact force Boulder collision Dynamic-based model Engineering design
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Towards data-efficient mechanical design of bicontinuous composites usinggenerative AI
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作者 Milad Masrouri Zhao Qin 《Theoretical & Applied Mechanics Letters》 CAS CSCD 2024年第1期57-64,共8页
The distribution of material phases is crucial to determine the composite’s mechanical property.While the full structure-mechanics relationship of highly ordered material distributions can be studied with finite numb... The distribution of material phases is crucial to determine the composite’s mechanical property.While the full structure-mechanics relationship of highly ordered material distributions can be studied with finite number of cases,this relationship is difficult to be revealed for complex irregular distributions,preventing design of such material structures to meet certain mechanical requirements.The noticeable developments of artificial intelligence(AI)algorithms in material design enables to detect the hidden structure-mechanics correlations which is essential for designing composite of complex structures.It is intriguing how these tools can assist composite design.Here,we focus on the rapid generation of bicontinuous composite structures together with the stress distribution in loading.We find that generative AI,enabled through fine-tuned Low Rank Adaptation models,can be trained with a few inputs to generate both synthetic composite structures and the corresponding von Mises stress distribution.The results show that this technique is convenient in generating massive composites designs with useful mechanical information that dictate stiffness,fracture and robustness of the material with one model,and such has to be done by several different experimental or simulation tests.This research offers valuable insights for the improvement of composite design with the goal of expanding the design space and automatic screening of composite designs for improved mechanical functions. 展开更多
关键词 Generative artificial intelligence Stable diffusion Composite design Phase field model Molecular dynamics simulation
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