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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
基金the Guangdong Planning Office of Philosophy and Social Science(Grant No.GD22XYS04).
文摘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.
基金the National Science Foundation(PFI-008513 and FET-2309403)for the support of this work.
文摘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.
基金The National Natural Science Foundation of China(No.71271053)the Scientific Innovation Research of College Graduates in Jiangsu Province(No.CXLX13_082)
文摘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.
基金supported by the Natural Science Foundation of Shenyang,China(Grant No.22315605).
文摘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.
文摘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.
基金financially supported by the FDCT Project 0029/2018/A1the University of Macao Research Grants(MYRG2019-00041-ICMS)performed in part at the High-Performance Computing Cluster(HPCC)which is supported by Information and Communication Technology Office(ICTO)of the University of Macao。
文摘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.
文摘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.
文摘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.
文摘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.
基金The study was financially supported by the key project of Science and Technology Commission of Shanghai Local Gov-ernment (No. 015211010), the National Natural Science Foundation of China (No. 50171038) and the China-Belgium bi-lateral project (No. 2001-242).
文摘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.
基金supported by the Singapore Ministry of Education Academic Research Fund Tier 1。
文摘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.
基金This work was supported by grants from the National Sciences Fund(31370938 and 81272528)The Fund(81272528)offered experiment material and collected the data for analysisThe Fund(31370938)helped design the study and was helpful in preparing the manuscript.
文摘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.
文摘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.
文摘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.
基金supported by Tangshan Normal University Scientific Research Fund Project (2019A08)Hebei Provincial Natural Science Youth Fund Project (D2022105002).
文摘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.
文摘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.
基金supported by the National Natural Science Foundation of China(U2244227)National Key R&D Program of China(2023YFC3007205)National Natural Science Foundation of China(No.42271013).
文摘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.
基金supported by the National Science Foundation CA-REER Grant(Grant No.2145392)the startup funding at Syracuse Uni-versity for supporting the research work.
文摘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.