High-throughput calculation-based rational design of Fe-doped MoS_(2) nanosheets for electrocatalytic p H-universal overall water splitting

Electrocatalytic water splitting is crucial for H2generation via hydrogen evolution reaction(HER)but subject to the sluggish dynamics of oxygen evolution reaction(OER).In this work,single Fe atomdoped MoS_(2)nanosheets(SFe-DMNs)were prepared based on the high-throughput density functional theory(DFT)calculation screening.Due to the synergistic effect between Fe atom and MoS_(2)and optimized intermediate binding energy,the SFe-DMNs could deliver outstanding activity for both HER and OER.When assembled into a two-electrode electrolytic cell,the SFe-DMNs could achieve the current density of 50 mA cm^(-2)at a low cell voltage of 1.55 V under neutral condition.These results not only confirmed the effectiveness of high-throughput screening,but also revealed the excellent activity and thus the potential applications in fuel cells of SFe-DMNs.

Design of high-performance ion-doped CoP systems for hydrogen evolution:From multi-level screening calculations to experiment

Rational design of high-performance electrocatalysts for hydrogen evolution reaction(HER)is vital for future renewable energy systems.The incorporation of foreign metal ions into catalysts can be an effective approach to optimize its performance.However,there is a lack of systematic theoretical studies to reveal the quantitative relationships at the electronic level.Here,we develop a multi-level screening methodology to search for highly stable and active dopants for CoP catalysts.The density functional theory(DFT)calculations and symbolic regression(SR)were performed to investigate the relationship between the adsorption free energy(ΔG_(H^(*)))and 10 electronic parameters.The mathematic formulas derived from SR indicate that the difference of work function(ΔΦ)between doped metal and the acceptor plays the most important role in regulatingΔG_(H^(*)),followed by the d-band center(d-BC)of doped system.The descriptor of HER can be expressed asΔG_(H^(*))=1.59×√|0.188ΔΦ+d BC+0.120|1/2-0.166 with a high determination coefficient(R^(2)=0.807).Consistent with the theoretical prediction,experimental results show that the Al-CoP delivers superior electrocatalytic HER activity with a low overpotential of75 m V to drive a current density of 10 mA cm^(-2),while the overpotentials for undoped CoP,Mo-CoP,and V-CoP are 206,134,and 83 m V,respectively.The current work proves that theΔΦis the most significant regulatory parameter ofΔG_(H^(*))for ion-doped electrocatalysts.This finding can drive the discovery of high-performance ion-doped electrocatalysts,which is crucial for electrocatalytic water splitting.

Rational design of Fe/Co-based diatomic catalysts for Li–S batteries by first-principles calculations

Fe/Co-based diatomic catalysts decorated on an N-doped graphene substrate are investigated by first-principles calculations to improve the electrochemical properties of Li–S batteries.Our results demonstrate that Fe CoN8@Gra not only possesses moderate adsorption energies towards Li2Snspecies,but also exhibits superior catalytic activity for both reduction and oxidation reactions of the sulfur cathode.Moreover,the metallic property of the diatomic catalysts can be well maintained after Li2Snadsorption,which could help the sulfur cathode to maintain high conductivity during the whole charge–discharge process.Given these exceptional properties,it is expected that Fe CoN8@Gra could be a promising diatomic catalyst for Li–S batteries and afford insights for further development of advanced Li–S batteries.

Uncertainty analysis for the calculation of marine environmental design parameters in the South China Sea

The calculation results of marine environmental design parameters obtained from different data sampling methods,model distributions,and parameter estimation methods often vary greatly.To better analyze the uncertainties in the calculation of marine environmental design parameters,a general model uncertainty assessment method is necessary.We proposed a new multivariate model uncertainty assessment method for the calculation of marine environmental design parameters.The method divides the overall model uncertainty into two categories:aleatory uncertainty and epistemic uncertainty.The aleatory uncertainty of the model is obtained by analyzing the influence of the number and the dispersion degree of samples on the information entropy of the model.The epistemic uncertainty of the model is calculated using the information entropy of the model itself and the prediction error.The advantages of this method are that it does not require many-year-observation data for the marine environmental elements,and the method can be used to analyze any specific factors that cause model uncertainty.Results show that by applying the method to the South China Sea,the aleatory uncertainty of the model increases with the number of samples and then stabilizes.A positive correlation was revealed between the dispersion of the samples and the aleatory uncertainty of the model.Both the distribution of the model and the parameter estimation results of the model have significant effects on the epistemic uncertainty of the model.When the goodness-of-fit of the model is relatively close,the best model can be selected according to the criterion of the lowest overall uncertainty of the models,which can both ensure a better model fit and avoid too much uncertainty in the model calculation results.The presented multivariate model uncertainty assessment method provides a criterion to measure the advantages and disadvantages of the marine environmental design parameter calculation model from the aspect of uncertainty,which is of great significance to analyze the uncertainties in the calculation of marine environmental design parameters and improve the accuracy of the calculation results.

Design calculation of porous ceramics tube type dew point indirect evaporative cooler

To improve the wall surface hydrophilicity of a tube type indirect evaporative cooler,a new method adopting porous ceramics is proposed.This method realizes the combination of porous ceramics and the evaporative cooling technique.The design calculation of the porous ceramics tube type dew point indirect evaporative cooler are carried out from such aspects as the volumes and status parameters of the primary and secondary air,the cooler structure,the heat transfer of the solid porous ceramic tubes and the resistance of the cooler.The calculation results show that the design is reasonable.Finally,based on the design calculation,the porous ceramics tube type dew point indirect evaporative cooler is successfully manufactured.

Design and preparation of aluminum alloy with high thermal conductivity based on CALPHAD and first-principles calculation

To obtain the aluminum alloy with high thermal and mechanical properties,the effects of alloying elements and the second phases on the thermal conductivity of Al alloys were investigated by CALPHAD and first-principles calculation,respectively.The properties of the second phases,including Young's modulus,Poisson's ratio and minimum thermal conductivity,were systematically studied.Results show that the ranking order of the effects of the alloying elements on the thermal conductivity is Mg>Cu>Fe>Si,and for Al-12Si alloys,the mathematical model of the relationship between the alloying elements and the thermal conductivity can be expressed as λ=ax^(2)-bx+c when the second phase precipitates in the matrix.All kinds of ternary phases of Al-Fe-Si have higher deformation resistance,rigidity,theoretical hardness,Debye temperature and thermal conductivity than the other phases which possibly exist in the Al-12Si alloys.Based on the guidance of CALPHAD and first-principles calculation,the optimized chemical composition of Al alloy with high conductivity is Al-11.5Si-0.4Fe-0.2Mg(wt.%)with a thermal conductivity of 137.50 W·m^(-1)·K^(-1)and a hardness of 81.3 HBW.

SELECTING CLUSTER MODEL IN Sn - BASED SOLDER ALLOY DESIGN WITH DV - X_α CALCULATION METHOD

Applying calculation method in alloy design should be an important tendency due to its characters of inexpensive cost, high efficiency and prediction. DOS calculations of AuSn, AsSn and SbSn Sn- based alloys have been investigated by employing DV - Xa method, in which different cluster models were adopted to calculate electron structure.It is proved that some regulations must be taken into ac- count in order to carry out alloy design calculation successfully,which are described in this paper in detail.

Design and Calculation for Test Tube with the Aim of Regulation Simultaneous Crystallization Tests

A design for an air-cooled test tube, with a series of modular and movable rings (cylindrical “crystallization comb”), installed in a laboratory crucible furnace is presented. The setup allows easy regulation simultaneous crystallization tests of a series of different crystallization rates in several columns (matrix) of test tubes, enabling fast studies of obtaining crystals. This low-budget, portable device (i.e. adjustable airstream with more simple control options), can also be applied in tube and chamber furnaces. The relations between the crystallization rate and parameters of air-cooled test tube are given and numerically analyzed.

Innovative Product Design Based on Customer Requirement Weight Calculation Model

In the processes of product innovation and design, it is important for the designers to find and capture customer＇s focus through customer requirement weight calculation and ranking. Based on the fuzzy set theory and Euclidean space distance, this paper puts forward a method for customer requirement weight calculation called Euclidean space distances weighting ranking method. This method is used in the fuzzy analytic hierarchy process that satisfies the additive consistent fuzzy matrix. A model for the weight calculation steps is constructed; meanwhile, a product innovation design module on the basis of the customer requirement weight calculation model is developed. Finally, combined with the instance of titanium sponge production, the customer requirement weight calculation model is validated. By the innovation design module, the structure of the titanium sponge reactor has been improved and made innovative.

Application Strategy of Composite Steel Composite Beams in Bridge Design

The combined prefabricated steel-hybrid stacked girder structure is very common in modern bridge design.An actual bridge engineering design project is taken as an example in this paper to analyze the application strategy of this structure,encompassing overall design strategy,structural design strategy,and structural calculation strategy.The aim is to offer insights that can enhance the quality of bridge design.

Analysis of Roadbed Pavement Designs for Highway Reconstruction and Upgrading

This paper focuses on the route and roadbed pavement design in highway reconstruction and upgrading projects.It discusses the importance of project design for highway reconstruction and upgrading,highlighting key aspects of route design and roadbed pavement design.The analysis reveals that the main design considerations in these projects include controlling factors of route reconstruction,expansion,and upgrading,as well as route plan design and longitudinal section design combined with roadbed pavement.In roadbed pavement design,it is crucial for designers to thoroughly collect existing data and make reasonable use of the current roadbed and pavement to develop a comprehensive design scheme.This analysis aims to provide a reference for the reasonable design of such projects.

Web Layout Design of Large Cavity Structures Based on Topology Optimization

Large cavity structures are widely employed in aerospace engineering, such as thin-walled cylinders, blades andwings. Enhancing performance of aerial vehicles while reducing manufacturing costs and fuel consumptionhas become a focal point for contemporary researchers. Therefore, this paper aims to investigate the topologyoptimization of large cavity structures as a means to enhance their performance, safety, and efficiency. By usingthe variable density method, lightweight design is achieved without compromising structural strength. Theoptimization model considers both concentrated and distributed loads, and utilizes techniques like sensitivityfiltering and projection to obtain a robust optimized configuration. The mechanical properties are checked bycomparing the stress distribution and displacement of the unoptimized and optimized structures under the sameload. The results confirm that the optimized structures exhibit improved mechanical properties, thus offering keyinsights for engineering lightweight, high-strength large cavity structures.

水田动力底盘逆向建模与质心验证——基于Geomagic Design X

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。

Rapid design and screen high strength U-based high-entropy alloys from first-principles calculations

Reducing the exploration of multi-principal element alloy space is a key challenge to design high-performance U-based high-entropy alloy(UHEA).Here,the best combination of multi-principal element can be efficiently acquired because proposed alloying strategy and screening criteria can substantially reduce the space of alloy and thus accelerate alloy design,rather than enormous random combinations through a trial-and-error approach.To choose the best seed alloy and suitable dopants,the screening criteria include small anisotropy,high specific modulus,high dynamical stability,and high ductility.We therefore find a shortcut to design UHEA from typical binary(UTi and UNb)to ternary(UTiNb),qua-ternary(UTiNbTa),and quinary(UTiNbTaFe).Finally,we find a best bcc senary UHEA(UTiNbTaFeMo),which has highest hardness and yield strength,while maintains good ductility among all the candidates.Compared to overestimation from empirical strength-hardness relationship,improved strength prediction can be achieved using a parameter-free theory considering volume mismatch and temperature effect on yield strength.This finding indicates that larger volume mismatch corresponds to higher yield strength,agreeing with the available measurements.Moreover,the dynamical stability and mechanical properties of candidates are greatly enhanced with increasing the number of multi-principal element,indicating the feasibility and effectiveness of adopted alloying strategy.The increasing of multi-principal element cor-responds to the increasing valence electron concentration(VEC).Alternatively,the mechanical properties significantly improve as increasing VEC,agreeing with measurements for other various bcc HEAs.This work can speed up research and development of advanced UHEA by greatly reducing the space of alloy composition.

Optimal Design of High-Speed Partial Flow Pumps using Orthogonal Tests and Numerical Simulations

To investigate the influence of structural parameters on the performances and internal flow characteristics of partial flow pumps at a low specific speed of 10000 rpm,special attention was paid to the first and second stage impeller guide vanes.Moreover,the impeller blade outlet width,impeller inlet diameter,blade inclination angle,and number of blades were considered for orthogonal tests.Accordingly,nine groups of design solutions were formed,and then used as a basis for the execution of numerical simulations(CFD)aimed at obtaining the efficiency values and heads for each design solution group.The influence of impeller geometric parameters on the efficiency and head was explored,and the“weight”of each factor was obtained via a range analysis.Optimal structural parameters were finally chosen on the basis of the numerical simulation results,and the performances of the optimized model were verified accordingly(yet by means of CFD).Evidence is provided that the increase in the efficiency and head of the optimized model was 12.11%and 23.5 m,respectively,compared with those of the original model.

App Designer辅助教学方法探索与实践——以软件无线电课程为例

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。

Product family modeling technology for customized cosmetic packaging design based on basic-element theory

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.

A Comparative Study of Metaheuristic Optimization Algorithms for Solving Real-World Engineering Design Problems

Real-world engineering design problems with complex objective functions under some constraints are relatively difficult problems to solve.Such design problems are widely experienced in many engineering fields,such as industry,automotive,construction,machinery,and interdisciplinary research.However,there are established optimization techniques that have shown effectiveness in addressing these types of issues.This research paper gives a comparative study of the implementation of seventeen new metaheuristic methods in order to optimize twelve distinct engineering design issues.The algorithms used in the study are listed as:transient search optimization(TSO),equilibrium optimizer(EO),grey wolf optimizer(GWO),moth-flame optimization(MFO),whale optimization algorithm(WOA),slimemould algorithm(SMA),harris hawks optimization(HHO),chimp optimization algorithm(COA),coot optimization algorithm(COOT),multi-verse optimization(MVO),arithmetic optimization algorithm(AOA),aquila optimizer(AO),sine cosine algorithm(SCA),smell agent optimization(SAO),and seagull optimization algorithm(SOA),pelican optimization algorithm(POA),and coati optimization algorithm(CA).As far as we know,there is no comparative analysis of recent and popular methods against the concrete conditions of real-world engineering problems.Hence,a remarkable research guideline is presented in the study for researchersworking in the fields of engineering and artificial intelligence,especiallywhen applying the optimization methods that have emerged recently.Future research can rely on this work for a literature search on comparisons of metaheuristic optimization methods in real-world problems under similar conditions.

Combining Deep Learning with Knowledge Graph for Design Knowledge Acquisition in Conceptual Product Design

The acquisition of valuable design knowledge from massive fragmentary data is challenging for designers in conceptual product design.This study proposes a novel method for acquiring design knowledge by combining deep learning with knowledge graph.Specifically,the design knowledge acquisition method utilises the knowledge extraction model to extract design-related entities and relations from fragmentary data,and further constructs the knowledge graph to support design knowledge acquisition for conceptual product design.Moreover,the knowledge extraction model introduces ALBERT to solve memory limitation and communication overhead in the entity extraction module,and uses multi-granularity information to overcome segmentation errors and polysemy ambiguity in the relation extraction module.Experimental comparison verified the effectiveness and accuracy of the proposed knowledge extraction model.The case study demonstrated the feasibility of the knowledge graph construction with real fragmentary porcelain data and showed the capability to provide designers with interconnected and visualised design knowledge.

Research on Multi-modal In-Vehicle Intelligent Personal Assistant Design

Intelligent personal assistants play a pivotal role in in-vehicle systems,significantly enhancing life efficiency,driving safety,and decision-making support.In this study,the multi-modal design elements of intelligent personal assistants within the context of visual,auditory,and somatosensory interactions with drivers were discussed.Their impact on the driver’s psychological state through various modes such as visual imagery,voice interaction,and gesture interaction were explored.The study also introduced innovative designs for in-vehicle intelligent personal assistants,incorporating design principles such as driver-centricity,prioritizing passenger safety,and utilizing timely feedback as a criterion.Additionally,the study employed design methods like driver behavior research and driving situation analysis to enhance the emotional connection between drivers and their vehicles,ultimately improving driver satisfaction and trust.