Application of deep learning for informatics aided design of electrode materials in metal-ion batteries

To develop emerging electrode materials and improve the performances of batteries,the machine learning techniques can provide insights to discover,design and develop battery new materials in high-throughput way.In this paper,two deep learning models are developed and trained with two feature groups extracted from the Materials Project datasets to predict the battery electrochemical performances including average voltage,specific capacity and specific energy.The deep learning models are trained with the multilayer perceptron as the core.The Bayesian optimization and Monte Carlo methods are applied to improve the prediction accuracy of models.Based on 10 types of ion batteries,the correlation coefficients are maintained above 0.9 compared to DFT calculation results and the mean absolute error of the prediction results for voltages of two models can reach 0.41 V and 0.20 V,respectively.The electrochemical performance prediction times for the two trained models on thousands of batteries are only 72.9 ms and 75.7 ms.Besides,the two deep learning models are applied to approach the screening of emerging electrode materials for sodium-ion and potassium-ion batteries.This work can contribute to a high-throughput computational method to accelerate the rational and fast materials discovery and design.

CADGen:Computer-aided design sequence construction with a guided codebook learning

Computer-aided design(CAD)software continues to be a crucial tool in digital twin application and manufacturing,facilitating the design of various products.We present a novel CAD generation method,an agent that constructs the CAD sequences containing the sketch-and-extrude modelling operations efficiently and with high quality.Starting from the sketch and extrusion operation sequences,we utilise the transformer encoder to encode them into different disentangled codebooks to represent their distribution properties while considering their correlations.Then,a combination of auto-regressive and non-autoregressive samplers is trained to sample the code for CAD sequence con-struction.Extensive experiments demonstrate that our model generates diverse and high-quality CAD models.We also show some cases of real digital twin applications and indicate that our generated model can be used as the data source for the digital twin platform,exhibiting designers'potential.

Preliminary Study on Overseas Applicability of Chinese Architectural Design Standards:Taking China-Aided Construction Projects in Asia Since the Belt and Road Initiative as Examples

This research takes China-aided construction projects in Asia since the Belt and Road Initiative as examples to explore the applicability of Chinese architectural design standards in other Asian countries.So far,the standards demonstrated the highest applicability in South Asia is the best followed by Southeast Asia.Chinese architectural design standards for educational buildings showed the highest applicability,followed by office,medical,and sports buildings.This study puts forward some strategies to improve the applicability of Chinese architectural design standards.These strategies include integrating regionalism and local cultural traditions,optimizing energy efficiency,and aligning designs with local usage habits.This study serves as a reference for similar projects in the future.

Design of Aided Decision-Making Program for Prioritizing Construction Projects in Urban Road Network Planning

The importance and complexity of prioritizing construction projects (PCP) in urban road network planning lead to the necessity to develop an aided decision making program (ADMP). Cost benefit ratio model and stage rolled method are chosen as the theoretical foundations of the program, and then benefit model is improved to accord with the actuality of urban traffic in China. Consequently, program flows, module functions and data structures are designed, and particularly an original data structure of road ...

The computer-aided design method of cabinet based on style imagery

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.

Application of computer-aided engineering optimum design method in aluminum profile extrusion mould

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.

Computer Aided Composition Design of Prehardened-Mould Steel for Plastic

The improvement of machining behavior of prehardened-mould steel for plastic is realized by using computer-aided composition design in this work. The results showed that the matrix composition of large sectional prehardened mould steel for plastic markedly influences the precipitation of non-metallic inclusion and the control of composition aided by Thermo-Calc software package minimizes the amount of detrimental oxide inclusion. In addition the modification of calcium is optimized in the light of composition design.

Computer-aided Design and Custom-made Guide in Corrective Osteotomy for Complex Femoral Deformity

Summary： Preoperative planning of corrective osteotomy with traditional radiography has limitations in regards to determining the ideal osteotomy location and orientation in three-dimensional femoral de- formities. Though a successful operation can be planned preoperatively, intraoperative contingencies might adhere to the procedural plan in the performance of operation. To efficiently perform a planned procedure, proposed is a design to implement three-dimensional reconstruction photography, based on computer-tomography （CT） scan. A custom-made guide was designed to navigate the osteotomy as planned, and additionally, a personalized intramedullary nail was used for fixation after osteotomy. Three-dimensional （3D） photography of deformed femur was established based on the CT dataset and transferred into 3D photography processing software for further planning. Osteotomy planes were de- signed and adjusted at deformity sites to correct the 3D deformities. The methodology of a custom-made osteotomy guide was introduced in femoral corrective osteotomy, for the first time, to navigate the op- eration as planned. After the virtual osteotomy and reduction of bone segments, the parameters of a custom-made intramedullary nail were measured for manufacturing. Findings Virtual operation in computer shows complete correction of the 3D deformity. The osteotomy guide, obtained by rapid-prototyping techniques, navigates mimicking surgery on rapid-prototyping model of the involved femur as planned. Internal fixation was achieved using the custom-made intramedullary nail. Interpreta- tion three-dimensional visualization introduces an advantage in preoperative planning for corrective os- teotomy of 3D femoral deformity, and the custom-made osteotomy guide is crucial to realize such a de- liberate plan during the actual procedures. The internal fixator, such as an intramedullary nail, can be modified or personalized for fixation in unique cases.

Computer Aided Design Technology for Convex Faceted Gem Cuts Based on the Half-Edge Data Structure

Aiming to increase the efficiency of gem design and manufacturing, a new method in computer-aided-design (CAD) of convex faceted gem cuts (CFGC) based on Half-edge data structure (HDS), including the algorithms for the implementation is presented in this work. By using object-oriented methods, geometrical elements of CFGC are classified and responding geometrical feature classes are established. Each class is implemented and embedded based on the gem process. Matrix arithmetic and analytical geometry are used to derive the affine transformation and the cutting algorithm. Based on the demand for a diversity of gem cuts, CAD functions both for free-style faceted cuts and parametric designs of typical cuts and visualization and human-computer interactions of the CAD system including two-dimensional and three-dimensional interactions have been realized which enhances the flexibility and universality of the CAD system. Furthermore, data in this CAD system can also be used directly by the gem CAM module, which will promote the gem CAD/CAM integration.

Development of a Decision Aid for Family Surrogate Decision Makers of Critically Ill Patients Requiring Renal Replacement Therapy in ICU:A User-Centered Design for Rapid Prototyping

Objectives Renal replacement therapy(RRT)is increasingly adopted for critically ill patients diagnosed with acute kidney injury,but the optimal time for initiation remains unclear and prognosis is uncertain,leading to medical complexity,ethical conflicts,and decision dilemmas in intensive care unit(ICU)settings.This study aimed to develop a decision aid(DA)for the family surrogate of critically ill patients to support their engagement in shared decision-making process with clinicians.Methods Development of DA employed a systematic process with user-centered design(UCD)principle,which included:(i)competitive analysis:searched,screened,and assessed the existing DAs to gather insights for design strategies,developmental techniques,and functionalities;(ii)user needs assessment:interviewed family surrogates in our hospital to explore target user group's decision-making experience and identify their unmet needs;(iii)evidence syntheses:integrate latest clinical evidence and pertinent information to inform the content development of DA.Results The competitive analysis included 16 relevant DAs,from which we derived valuable insights using existing resources.User decision needs were explored among a cohort of 15 family surrogates,revealing four thematic issues in decision-making,including stuck into dilemmas,sense of uncertainty,limited capacity,and delayed decision confirmation.A total of 27 articles were included for evidence syntheses.Relevant decision making knowledge on disease and treatment,as delineated in the literature sourced from decision support system or clinical guidelines,were formatted as the foundational knowledge base.Twenty-one items of evidence were extracted and integrated into the content panels of benefits and risks of RRT,possible outcomes,and reasons to choose.The DA was drafted into a web-based phototype using the elements of UCD.This platform could guide users in their preparation of decision-making through a sequential four-step process:identifying treatment options,weighing the benefits and risks,clarifying personal preferences and values,and formulating a schedule for formal shared decision-making with clinicians.Conclusions We developed a rapid prototype of DA tailored for family surrogate decision makers of critically ill patients in need of RRT in ICU setting.Future studies are needed to evaluate its usability,feasibility,and clinical effects of this intervention.

Computer-aided designing and manufacturing of advanced steels

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.

Computer-Aided Design of Some Advanced Steels and Cemented Carbides

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.

A Feature-Aided Multiple Model Algorithm for Maneuvering Target Tracking

Dear Editor,This letter deals with the tracking problem for non-cooperative maneuvering targets based on the underwater sensor networks. Considering the acoustic intensity feature of underwater targets, a feature-aided multi-model tracking method for maneuvering targets is proposed.

A Computer-aided Design System for Framed-mould in Autoclave Processing

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.

Mobile Jammer-Aided Secure UAV Communications via Trajectory Design and Power Control

To further promote the achievable average secrecy rate for UAV-ground communications, a UAV-aided mobile jamming strategy was proposed in this paper. Specifically, an additional cooperative UAV is employed as a mobile jammer to transmit the jamming signal to help keep the source UAV closer to the ground destination, thus establishing more favorable legitimate link and enhancing the secrecy performance. We aimed to maximize the achievable secrecy rate by jointly optimizing the trajectories and transmit power of both source UAV and jammer UAV. To solve the considered non-convex optimization problem, we presented a block coordinate descent based iterative algorithm to address a sequence of approximated convex problems for the optimized parameter block by block to find a local optimal solution. Numerical results verify that the proposed algorithm can achieve significant secrecy rate gain compared to all the benchmark schemes.

The Computer Aided Integrated Design and Analysis of Oil Tank in Vehicle

This paper creates 3D solid model and assembly of U RJ 92-6 oil tank and analyses its strength by integrated CAD/CAE/CAM software I-D EAS. Through integrated simulation in computer, design efficiency and quality of oil tank is greatly improved. Adopting integrated CAD/CAE/CAM software to carry out integrated research to equ ipment and products, we will be able to take overall analysis in aspects of 3-D solid modeling, pre-assembly and strength, etc., to realize non-paper designi ng and parallel designing. Problems can be found and settled during designing, w hich will increase designing efficiency and one-time success rate and realize o ptimum designing for products.

RepBoTNet-CESA:An Alzheimer’s Disease Computer Aided Diagnosis Method Using Structural Reparameterization BoTNet and Cubic Embedding Self Attention

Various deep learning models have been proposed for the accurate assisted diagnosis of early-stage Alzheimer’s disease(AD).Most studies predominantly employ Convolutional Neural Networks(CNNs),which focus solely on local features,thus encountering difficulties in handling global features.In contrast to natural images,Structural Magnetic Resonance Imaging(sMRI)images exhibit a higher number of channel dimensions.However,during the Position Embedding stage ofMulti Head Self Attention(MHSA),the coded information related to the channel dimension is disregarded.To tackle these issues,we propose theRepBoTNet-CESA network,an advanced AD-aided diagnostic model that is capable of learning local and global features simultaneously.It combines the advantages of CNN networks in capturing local information and Transformer networks in integrating global information,reducing computational costs while achieving excellent classification performance.Moreover,it uses the Cubic Embedding Self Attention(CESA)proposed in this paper to incorporate the channel code information,enhancing the classification performance within the Transformer structure.Finally,the RepBoTNet-CESA performs well in various AD-aided diagnosis tasks,with an accuracy of 96.58%,precision of 97.26%,and recall of 96.23%in the AD/NC task;an accuracy of 92.75%,precision of 92.84%,and recall of 93.18%in the EMCI/NC task;and an accuracy of 80.97%,precision of 83.86%,and recall of 80.91%in the AD/EMCI/LMCI/NC task.This demonstrates that RepBoTNet-CESA delivers outstanding outcomes in various AD-aided diagnostic tasks.Furthermore,our study has shown that MHSA exhibits superior performance compared to conventional attention mechanisms in enhancing ResNet performance.Besides,the Deeper RepBoTNet-CESA network fails to make further progress in AD-aided diagnostic tasks.

Application of Computer-Aided Drug Design to Traditional Chinese Medicine

Computer-aided drug design (CADD) is an interdisciplinary subject, playing a pivotal role during new drug research and development, especially the discovery and optimization of lead compounds. Traditional Chinese Medicine (TCM) modernization is the only way of TCM development and also an effective approach to the development of new drugs and the discovery of potential drug targets (PDTs). Discovery and validation of PTDs has become the “bottle-neck” restricted new drug research and development and is urgently solved. Innovative drug research is of great significance and bright prospects. This paper mainly discusses the “druggability” and specificity of PTDs, the “druglikeness” of drug candidates, the methods and technologies of the discovery and validation of PTDs and their application. It is very important to achieve the invention and innovation strategy “from gene to drug”. In virtue of modern high-new technology, especially CADD, combined with TCM theory, research and develop TCM and initiate an innovating way fitting our country progress. This paper mainly discusses CADD and their application to drug research, especially TCM modernization.

Integrated computer-aided formulation design:A case study of andrographolide/cyclodextrin ternary formulation

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.

Computer-Aided Design and Simulation of a Membrane Bioreactor for Produced Water Treatment

Membrane Bio Reactor (MBR) has been designed and simulation for the treatment of Chemical Oxygen Demand (COD), Total Suspended Solids (TSS), Total Organic Carbon (TOC), Total Dissolved Solid (TDS) and Oil/ Grease in produced water at a capacity of 54.1778 kg/hr for removal of 95%-99% contaminants. The MBR design equations were developed using the law of conservation of mass to determine the dimensions and functional parameters. The developed performance equations were integrated numerically using fourth-order Runge-Kutta embedded in MATLAB computer program to determine the optimum range of values of the reactor functional dimensions and functional parameters. The effect of rate of energy supply per reactor volume and substrate specific rate constant on the capacity of the membrane bioreactor were investigated. Also, the effect of initial loading of substrate on Solid Retention Time (SRT) was also investigated. Results showed that kinetic parameters influenced the percentage removal of contaminants as Hydraulic Retention Time (HRT) and size of MBR decreased with increase in specific rate constant at fixed conversion of contaminants. Also, HRT and MBR size increased as the conversion of Chemical Oxygen Demand (COD) was increased, while increased in the ratio of energy supplied per volume resulted in decreased of MBR volume. The effect of initial loading of substrate on SRT showed that increased in substrate loading increased the retention time of the solid at fixed substrate conversion, while the conversion of substrate to microorganism increased as the solid retention time was increased. The increased in initial loading of substrate concentration increased the production of Mixed Liquor Suspended Solids (MLSS). Thus, the size of MBR required for the conversion of the investigated contaminants at the design percentage removal increased in the following order: oil/grease 3;0.98 and 4.68 m;and 1.38 and 6.62 at 95% and 99% respectively, while the SRT was 82.67 days.