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Numerical Analysis of Bacterial Meningitis Stochastic Delayed Epidemic Model through Computational Methods
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作者 Umar Shafique Mohamed Mahyoub Al-Shamiri +3 位作者 Ali Raza Emad Fadhal Muhammad Rafiq Nauman Ahmed 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第10期311-329,共19页
Based on theWorld Health Organization(WHO),Meningitis is a severe infection of the meninges,the membranes covering the brain and spinal cord.It is a devastating disease and remains a significant public health challeng... Based on theWorld Health Organization(WHO),Meningitis is a severe infection of the meninges,the membranes covering the brain and spinal cord.It is a devastating disease and remains a significant public health challenge.This study investigates a bacterial meningitis model through deterministic and stochastic versions.Four-compartment population dynamics explain the concept,particularly the susceptible population,carrier,infected,and recovered.The model predicts the nonnegative equilibrium points and reproduction number,i.e.,the Meningitis-Free Equilibrium(MFE),and Meningitis-Existing Equilibrium(MEE).For the stochastic version of the existing deterministicmodel,the twomethodologies studied are transition probabilities and non-parametric perturbations.Also,positivity,boundedness,extinction,and disease persistence are studiedrigorouslywiththe helpofwell-known theorems.Standard and nonstandard techniques such as EulerMaruyama,stochastic Euler,stochastic Runge Kutta,and stochastic nonstandard finite difference in the sense of delay have been presented for computational analysis of the stochastic model.Unfortunately,standard methods fail to restore the biological properties of the model,so the stochastic nonstandard finite difference approximation is offered as an efficient,low-cost,and independent of time step size.In addition,the convergence,local,and global stability around the equilibria of the nonstandard computational method is studied by assuming the perturbation effect is zero.The simulations and comparison of the methods are presented to support the theoretical results and for the best visualization of results. 展开更多
关键词 Bacterial Meningitis disease stochastic delayed model stability analysis extinction and persistence computational methods
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Predicting Genotype Information Related to COVID-19 for Molecular Mechanism Based on Computational Methods 被引量:1
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作者 Lejun Gong Xingxing Zhang +1 位作者 Li Zhang Zhihong Gao 《Computer Modeling in Engineering & Sciences》 SCIE EI 2021年第10期31-45,共15页
Novel coronavirus disease 2019(COVID-19)is an ongoing health emergency.Several studies are related to COVID-19.However,its molecular mechanism remains unclear.The rapid publication of COVID-19 provides a new way to el... Novel coronavirus disease 2019(COVID-19)is an ongoing health emergency.Several studies are related to COVID-19.However,its molecular mechanism remains unclear.The rapid publication of COVID-19 provides a new way to elucidate its mechanism through computational methods.This paper proposes a prediction method for mining genotype information related to COVID-19 from the perspective of molecular mechanisms based on machine learning.The method obtains seed genes based on prior knowledge.Candidate genes are mined from biomedical literature.The candidate genes are scored by machine learning based on the similarities measured between the seed and candidate genes.Furthermore,the results of the scores are used to perform functional enrichment analyses,including KEGG,interaction network,and Gene Ontology,for exploring the molecular mechanism of COVID-19.Experimental results show that the method is promising for mining genotype information to explore the molecular mechanism related to COVID-19. 展开更多
关键词 COVID-19 SARS-CoV-2 computational method BIOINFORMATICS GENOTYPE machine learning
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Bio-Inspired Computational Methods for the Polio Virus Epidemic Model
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作者 Fatimah Abdulrahman Alrawajeh F.M.Allehiany +4 位作者 Ali Raza Shaimaa A.M.Abdelmohsen Tahir Nawaz Cheema Muhammad Rafiq Muhammad Mohsin 《Computers, Materials & Continua》 SCIE EI 2022年第8期2357-2374,共18页
In 2021,most of the developing countries are fighting polio,and parents are concerned with the disabling of their children.Poliovirus transmits from person to person,which can infect the spinal cord,and paralyzes the ... In 2021,most of the developing countries are fighting polio,and parents are concerned with the disabling of their children.Poliovirus transmits from person to person,which can infect the spinal cord,and paralyzes the parts of the body within a matter of hours.According to the World Health Organization(WHO),18 million currently healthy people could have been paralyzed by the virus during 1988–2020.Almost all countries but Pakistan,Afghanistan,and a fewmore have been declared polio-free.The mathematical modeling of poliovirus is studied in the population by categorizing it as susceptible individuals(S),exposed individuals(E),infected individuals(I),and recovered individuals(R).In this study,we study the fundamental properties such as positivity and boundedness of the model.We also rigorously study the model’s stability and equilibria with or without poliovirus.For numerical study,we design the Euler,Runge–Kutta,and nonstandard finite difference method.However,the standard techniques are time-dependent and fail to present the results for an extended period.The nonstandard finite difference method works well to study disease dynamics for a long time without any constraints.Finally,the results of different methods are compared to prove their effectiveness. 展开更多
关键词 POLIOVIRUS modeling stability results computational methods
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Applications of Soft Computing Methods in Backbreak Assessment in Surface Mines: A Comprehensive Review
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作者 Mojtaba Yari Manoj Khandelwal +3 位作者 Payam Abbasi Evangelos I.Koutras Danial Jahed Armaghani Panagiotis G.Asteris 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第9期2207-2238,共32页
Geo-engineering problems are known for their complexity and high uncertainty levels,requiring precise defini-tions,past experiences,logical reasoning,mathematical analysis,and practical insight to address them effecti... Geo-engineering problems are known for their complexity and high uncertainty levels,requiring precise defini-tions,past experiences,logical reasoning,mathematical analysis,and practical insight to address them effectively.Soft Computing(SC)methods have gained popularity in engineering disciplines such as mining and civil engineering due to computer hardware and machine learning advancements.Unlike traditional hard computing approaches,SC models use soft values and fuzzy sets to navigate uncertain environments.This study focuses on the application of SC methods to predict backbreak,a common issue in blasting operations within mining and civil projects.Backbreak,which refers to the unintended fracturing of rock beyond the desired blast perimeter,can significantly impact project timelines and costs.This study aims to explore how SC methods can be effectively employed to anticipate and mitigate the undesirable consequences of blasting operations,specifically focusing on backbreak prediction.The research explores the complexities of backbreak prediction and highlights the potential benefits of utilizing SC methods to address this challenging issue in geo-engineering projects. 展开更多
关键词 Backbreak BLASTING soft computing methods prediction theory-guided machine learning
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Direct computing methods for turn flows in traffic assignment
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作者 任刚 王炜 《Journal of Southeast University(English Edition)》 EI CAS 2005年第2期225-228,共4页
Two methods based on a slight modification of the regular traffic assignmentalgorithms are proposed to directly compute turn flows instead of estimating them from link flows orobtaining them by expanding the networks.... Two methods based on a slight modification of the regular traffic assignmentalgorithms are proposed to directly compute turn flows instead of estimating them from link flows orobtaining them by expanding the networks. The first one is designed on the path-turn incidencerelationship, and it is similar to the computational procedure of link flows. It applies to thetraffic assignment algorithms that can provide detailed path structures. The second utilizes thelink-turn incidence relationship and the conservation of flow on links, a law deriving from thisrelationship. It is actually an improved version of Dial's logit assignment algorithm. The proposedapproaches can avoid the shortcomings both of the estimation methods, e. g. Furness's model andFrator's model, and of the network-expanding method in precision, stability and computation scale.Finally, they are validated by numerical examples. 展开更多
关键词 turn flow traffic assignment Dial's algorithm directly computing method
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A computational method for post-construction settlement of high-speed railway bridge pile foundation considering soil creep effect 被引量:12
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作者 冯胜洋 魏丽敏 +1 位作者 何重阳 何群 《Journal of Central South University》 SCIE EI CAS 2014年第7期2921-2927,共7页
Based on reasonable assumptions that simplified the calculational model,a simple and practical method was proposed to calculate the post-construction settlement of high-speed railway bridge pile foundation by using th... Based on reasonable assumptions that simplified the calculational model,a simple and practical method was proposed to calculate the post-construction settlement of high-speed railway bridge pile foundation by using the Mesri creep model to describe the soil characteristics and the Mindlin-Geddes method considering pile diameter to calculate the vertical additional stress of pile bottom.A program named CPPS was designed for this method to calculate the post-construction settlement of a high-speed railway bridge pile foundation.The result indicates that the post-construction settlement in 100 years meets the requirements of the engineering specifications,and in the first two decades,the post-construction settlement is about 80% of its total settlement,while the settlement in the rest eighty years tends to be stable.Compared with the measured settlement after laying railway tracks,the calculational result is closed to that of the measured,and the results are conservative with a high computational accuracy.It is noted that the method can be used to calculate the post-construction settlement for the preliminary design of high-speed railway bridge pile foundation. 展开更多
关键词 high-speed railway bridge pile foundation post-construction settlement Mesri creep model simplified computational method
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A fast computational method for the landing footprints of space-to-ground vehicles 被引量:2
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作者 LIU Qingguo LIU Xinxue +1 位作者 WU Jian LI Yaxiong 《Journal of Systems Engineering and Electronics》 SCIE EI CSCD 2020年第5期1062-1076,共15页
Fast computation of the landing footprint of a space-to-ground vehicle is a basic requirement for the deployment of parking orbits, as well as for enabling decision makers to develop real-time programs of transfer tra... Fast computation of the landing footprint of a space-to-ground vehicle is a basic requirement for the deployment of parking orbits, as well as for enabling decision makers to develop real-time programs of transfer trajectories. In order to address the usually slow computational time for the determination of the landing footprint of a space-to-ground vehicle under finite thrust, this work proposes a method that uses polynomial equations to describe the boundaries of the landing footprint and uses back propagation(BP) neural networks to quickly determine the landing footprint of the space-to-ground vehicle. First, given orbital parameters and a manoeuvre moment, the solution model of the landing footprint of a space-to-ground vehicle under finite thrust is established. Second, given arbitrary orbital parameters and an arbitrary manoeuvre moment, a fast computational model for the landing footprint of a space-to-ground vehicle based on BP neural networks is provided.Finally, the simulation results demonstrate that under the premise of ensuring accuracy, the proposed method can quickly determine the landing footprint of a space-to-ground vehicle with arbitrary orbital parameters and arbitrary manoeuvre moments. The proposed fast computational method for determining a landing footprint lays a foundation for the parking-orbit configuration and supports the design of real-time transfer trajectories. 展开更多
关键词 space-to-ground vehicle landing footprint back propagation(BP)neural network fast computational method Pontryagin's minimum principle
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Protein-protein interactions: Methods, databases, and applications in virus-host study 被引量:3
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作者 Qurat ul Ain Farooq Zeeshan Shaukat +1 位作者 Sara Aiman Chun-Hua Li 《World Journal of Virology》 2021年第6期288-300,共13页
Almost all the cellular processes in a living system are controlled by proteins:They regulate gene expression,catalyze chemical reactions,transport small molecules across membranes,and transmit signal across membranes... Almost all the cellular processes in a living system are controlled by proteins:They regulate gene expression,catalyze chemical reactions,transport small molecules across membranes,and transmit signal across membranes.Even,a viral infection is often initiated through virus-host protein interactions.Protein-protein interactions(PPIs)are the physical contacts between two or more proteins and they represent complex biological functions.Nowadays,PPIs have been used to construct PPI networks to study complex pathways for revealing the functions of unknown proteins.Scientists have used PPIs to find the molecular basis of certain diseases and also some potential drug targets.In this review,we will discuss how PPI networks are essential to understand the molecular basis of virus-host relationships and several databases which are dedicated to virus-host interaction studies.Here,we present a short but comprehensive review on PPIs,including the experimental and computational methods of finding PPIs,the databases dedicated to virus-host PPIs,and the associated various applications in protein interaction networks of some lethal viruses with their hosts. 展开更多
关键词 Protein-protein interactions Experimental and computational methods Protein-protein interaction networks Protein-protein interaction databases Disease pathways Protein-protein interaction applications
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An elastic mechanics model and computation method for geotechnical material 被引量:1
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作者 Zheng Yingren Gao Hong Zheng Lushi 《Engineering Sciences》 EI 2010年第3期49-56,共8页
Internal friction characteristic is one of the basic properties of geotechnical materials and it exists in mechanical elements all the time. However,until now internal friction is only considered in limit analysis and... Internal friction characteristic is one of the basic properties of geotechnical materials and it exists in mechanical elements all the time. However,until now internal friction is only considered in limit analysis and plastic mechanics but not included in elastic theory for rocks and soils. We consider that internal friction exists in both elastic state and plastic state of geotechnical materials,so the mechanical unit of friction material is constituted. Based on study results of soil tests,the paper also proposes that cohesion takes effect first and internal friction works gradually with the increment of deformation. By assuming that the friction coefficient is proportional to the strain,the internal friction is computed. At last,by imitating the linear elastic mechanics,the nonlinear elastic mechanics model of friction material is established,where the shear modulus G is not a constant. The new model and the traditional elastic model are used simultaneously to analyze an elastic foundation. The results indicate that the displacements computed by the new model are less than those from the traditional method,which agrees with the fact and shows that the mechanical units of friction material are suitable for geotechnical material. 展开更多
关键词 geotechnical material elastic mechanics MODEL computation method
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Review:Recent Development of High⁃Order⁃Spectral Method Combined with Computational Fluid Dynamics Method for Wave⁃Structure Interactions 被引量:1
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作者 Yuan Zhuang Decheng Wan 《Journal of Harbin Institute of Technology(New Series)》 EI CAS 2020年第3期170-188,共19页
The present paper reviews the recent developments of a high⁃order⁃spectral method(HOS)and the combination with computational fluid dynamics(CFD)method for wave⁃structure interactions.As the numerical simulations of wa... The present paper reviews the recent developments of a high⁃order⁃spectral method(HOS)and the combination with computational fluid dynamics(CFD)method for wave⁃structure interactions.As the numerical simulations of wave⁃structure interaction require efficiency and accuracy,as well as the ability in calculating in open sea states,the HOS method has its strength in both generating extreme waves in open seas and fast convergence in simulations,while computational fluid dynamics(CFD)method has its advantages in simulating violent wave⁃structure interactions.This paper provides the new thoughts for fast and accurate simulations,as well as the future work on innovations in fine fluid field of numerical simulations. 展开更多
关键词 potential⁃viscous flow high⁃order⁃spectral(HOS)method computational fluid dynamics(CFD)method
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An iterative computation method for interpreting and extending an analytical battery model
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作者 Neng-gan ZHENG Zhao-hui WU +1 位作者 Man LIN Qi-jia WANG 《Journal of Zhejiang University-Science A(Applied Physics & Engineering)》 SCIE EI CAS CSCD 2008年第2期279-288,共10页
Battery models are of great importance to develop portable computing systems,for whether the design of low power hardware architecture or the design of battery-aware scheduling policies.In this paper,we present a phys... Battery models are of great importance to develop portable computing systems,for whether the design of low power hardware architecture or the design of battery-aware scheduling policies.In this paper,we present a physically justified iterative computing method to illustrate the discharge,recovery and charge process of Li/Li-ion batteries.The discharge and recovery processes correspond well to an existing accurate analytical battery model:R-V-W's analytical model,and thus interpret this model algorithmically.Our method can also extend R-V-W's model easily to accommodate the charge process.The work will help the system designers to grasp the characteristics of R-V-W's battery model and also,enable to predict the battery behavior in the charge process in a uniform way as the discharge process and the recovery process.Experiments are performed to show the ac-curacy of the extended model by comparing the predicted charge times with those derived from the DUALFOIL simulations.Various profiles with different combinations of battery modes were tested.The experimental results show that the extended battery model preserves high accuracy in predicting the charge behavior. 展开更多
关键词 Analytical battery model lterative computation method Capacity response Charge DISCHARGE
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Computing methods for icosahedral and symmetry-mismatch reconstruction of viruses by cryo-electron microscopy
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作者 Bin Zhu Lingpeng Cheng Hongrong Liu 《Chinese Physics B》 SCIE EI CAS CSCD 2018年第5期12-21,共10页
Three-dimensional(3 D)reconstruction of icosahedral viruses has played a crucial role in the development of cryoelectron microscopy single-particle reconstruction,with many cryo-electron microscopy techniques first es... Three-dimensional(3 D)reconstruction of icosahedral viruses has played a crucial role in the development of cryoelectron microscopy single-particle reconstruction,with many cryo-electron microscopy techniques first established for structural studies of icosahedral viruses,owing to their high symmetry and large mass.This review summarizes the computational methods for icosahedral and symmetry-mismatch reconstruction of viruses,as well as the likely challenges and bottlenecks in virus reconstruction,such as symmetry mismatch reconstruction,contrast transformation function(CTF)correction,and particle distortion. 展开更多
关键词 cryo-electron microscopy icosahedral virus computational method three-dimensional reconstruction symmetry-mismatch reconstruction
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Algorithm for Computation of Unstructured Real Stability Radius and Its Applications
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作者 Xiaodan Zhang Lequan Min(Applied Science School, University of Science and Technology Beijing, Beijing 100083, China) 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 1998年第4期245-250,共6页
An algorithm for the computation of the unstructured real stability radius of high dimensional linearsystem is presented. Using the accurate formula of the real stability radius of 2-dimensional system linear systemch... An algorithm for the computation of the unstructured real stability radius of high dimensional linearsystem is presented. Using the accurate formula of the real stability radius of 2-dimensional system linear systemchecks the algorithm. The result shows that the algorithm is reliable and efficient. As applications, the unstructuredreal stability radii of 2-dimensional Chua's circuit and 3-dimensional piecewise-linear system are calculated, thedynamical orbits of the corresponding perturbed systems are simulated. 展开更多
关键词 lincar systems STABILITY ROBUSTNESS parameter perturbation computational methods
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Simplified Computation Method of Vibration Characteristics of Jacket Platforms
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作者 Yang Shengtian Professor, Institute of Engineering Mechanics, State Seismological Bureau, Harbin 150080 《China Ocean Engineering》 SCIE EI 1995年第2期121-129,共9页
In this paper a simplified computation method of natural frequency of jacket platforms is given. Shear, bending and rotary inertia effects are considered in the equation, while the jacket shape, rotary inertia and cen... In this paper a simplified computation method of natural frequency of jacket platforms is given. Shear, bending and rotary inertia effects are considered in the equation, while the jacket shape, rotary inertia and centralized mass of the platform top are all determined by using a coefficient-revising method. 展开更多
关键词 natural vibration computation method jacket platform
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COMPUTATION OF FIELD STRUCTURE AND AERODYNAMIC CHARACTERISTICS OF DELTA WINGS AT HIGH ANGLES OF ATTACK
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作者 杨立芝 高正红 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI 2005年第6期797-806,共10页
A numerical investigation of the structure of the vortical flowfield over delta wings at high angles of attack in longitudinal and with small sideslip angle is presented. Three-dimensional Navier-Stokes numerical simu... A numerical investigation of the structure of the vortical flowfield over delta wings at high angles of attack in longitudinal and with small sideslip angle is presented. Three-dimensional Navier-Stokes numerical simulations were carried out to predict the complex leeward-side flowfield characteristics that are dominated by the effect of the breakdown of the leading-edge vortices. The methods that analyze the flowfield structure quantitatively were given by using flowfield data from the computational results. In the region before the vortex breakdown, the vortex axes are approximated as being straight line. As the angle of attack increases, the vortex axes are closer to the root chord, and farther away from the wing surface. Along the vortex axes, as the adverse pressure gradients occur, the axial velocity decreases, that is, A is negativee, so the vortex is unstable, and it is possible to breakdown. The occurrence of the breakdown results in the instability of lateral motion for a delta wing, and the lateral moment diverges after a small perturbation occurs at high angles of attack. However, after a critical angle of attack is reached the vortices breakdown completely at the wing apex, and the instability resulting from the vortex breakdown disappears. 展开更多
关键词 computational method high angle of attack vortex flow
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A NEW COMPUTATION METHOD FOR THE UNSTEADY HEAT TRANSFER COEFFICIENT IN A DEEP MINE 被引量:2
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作者 孙培德 《Journal of Coal Science & Engineering(China)》 1999年第2期57-61,共5页
In mine geothermal prediction, the unsteady heat transfer coefficient is an important parameter for heat transfer computation between country rock and mine airflow. In this paper, the rock temperature distributions in... In mine geothermal prediction, the unsteady heat transfer coefficient is an important parameter for heat transfer computation between country rock and mine airflow. In this paper, the rock temperature distributions in the geothermal fields have been derived in mathematics, the unsteady heat transfer coefficients that can expound the relation between its nature and influencing factors have been derived also based on this analytic formula. It is shown both by numerical simulations and through in situ measurernents that the new computation method for determining the unsteady heat transfer cofeeicient is accurate, rapid and simple. 展开更多
关键词 unsteady heat transfer coefficient new computation method numerical simulation prediction of geothermal temperature
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Neural Network Robust Control Based on Computed Torque for Lower Limb Exoskeleton
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作者 Yibo Han Hongtao Ma +6 位作者 Yapeng Wang Di Shi Yanggang Feng Xianzhong Li Yanjun Shi Xilun Ding Wuxiang Zhang 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2024年第2期83-99,共17页
The lower limb exoskeletons are used to assist wearers in various scenarios such as medical and industrial settings.Complex modeling errors of the exoskeleton in different application scenarios pose challenges to the ... The lower limb exoskeletons are used to assist wearers in various scenarios such as medical and industrial settings.Complex modeling errors of the exoskeleton in different application scenarios pose challenges to the robustness and stability of its control algorithm.The Radial Basis Function(RBF)neural network is used widely to compensate for modeling errors.In order to solve the problem that the current RBF neural network controllers cannot guarantee the asymptotic stability,a neural network robust control algorithm based on computed torque method is proposed in this paper,focusing on trajectory tracking.It innovatively incorporates the robust adaptive term while introducing the RBF neural network term,improving the compensation ability for modeling errors.The stability of the algorithm is proved by Lyapunov method,and the effectiveness of the robust adaptive term is verified by the simulation.Experiments wearing the exoskeleton under different walking speeds and scenarios were carried out,and the results show that the absolute value of tracking errors of the hip and knee joints of the exoskeleton are consistently less than 1.5°and 2.5°,respectively.The proposed control algorithm effectively compensates for modeling errors and exhibits high robustness. 展开更多
关键词 Lower limb exoskeleton Model compensation RBF neural network Computed torque method
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Numerical Study on the Aerodynamic and Fluid−Structure Interaction of An NREL-5MW Wind Turbine
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作者 ZHAO Mi YU Wan-li +2 位作者 WANG Pi-guang QU Yang DU Xiu-li 《China Ocean Engineering》 SCIE EI CSCD 2024年第3期363-378,共16页
A 5-MW wind turbine has been modeled and analyzed for fluid-structure interaction and aerodynamic performance.In this study, a full-scale model of a 5-MW wind turbine is first developed based on a computational fluid ... A 5-MW wind turbine has been modeled and analyzed for fluid-structure interaction and aerodynamic performance.In this study, a full-scale model of a 5-MW wind turbine is first developed based on a computational fluid dynamics(CFD) approach, in which the unsteady, noncompressible Reynolds Averaged Navier-Stokes(RANS) method is used. The main focus of the study is to analyze the tower shadow effect on the aerodynamic performance of the wind turbine under different inlet flow conditions. Subsequently, the finite element model is established by considering fluid/structure interactions to study the structural stress, displacement, strain distributions and flow field information of the structure under the uniform wind speed. Finally, the fluid-structure interaction model is established by considering turbulent wind and the tower shadow effect. The variation rules of the dynamic response of the one-way and two-way fluid-structure interaction(FSI) models under different wind speeds are analyzed, and the numerical calculation results are compared with those of the centralized mass model. The results show that the tower shadow effect and structural deformation are the main factors affecting the aerodynamic load fluctuation of the wind turbine, which in turn affects the aerodynamic performance and structural stability of the blades. The structural dynamic response of the coupled model shows significant similarity, while the structural displacement response of the former exhibits less fluctuation compared with the conventional centralized mass model. The one-way fluid-structure interaction(FSI)model shows a higher frequency of stress-strain and displacement oscillations on the blade compared with the two-way FSI model. 展开更多
关键词 computational fluid dynamics methods(CFD) tower shadow effect aerodynamic performance fluidstructure interaction space flow field
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Preliminary Investigation of Copper(II) Ion Binding or Complex Coordination in Lysozeme Molecules
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作者 Kou Takahashi Ryotaro Miyazaki +2 位作者 Daisuke Nakane Temitayo O. Aiyelabola Takashiro Akitsu 《Journal of Materials Science and Chemical Engineering》 2024年第4期98-103,共6页
Hydrophobic Val derivative Schiff base copper(II) complexes and dipeptide (AlaAla, GlyGly) derivative Schiff base copper(II) complexes were introduced into egg white lysozyme. X-ray crystal structure analysis revealed... Hydrophobic Val derivative Schiff base copper(II) complexes and dipeptide (AlaAla, GlyGly) derivative Schiff base copper(II) complexes were introduced into egg white lysozyme. X-ray crystal structure analysis revealed amino acid derivative Schiff base copper(II) complexes were obtained. Herein we discuss primarily on the binding mode of copper(II) of the complexes obtained with egg white lysozyme. The electron density of copper(II) ions was confirmed by X-ray crystal structure analysis. The Val derivative Schiff base copper(II) complex was weakly bound at Arg114 of egg white lysozyme. In other copper(II) complexes, binding of copper(II) ions with dissociated ligands to various residues was observed. The binding sites of copper(II) ions were compared with computational scientific predictions. 展开更多
关键词 COPPER Schiff Base LYSOZYME Metal-Protein Binding computational methods
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State-of-the-art review of soft computing applications in underground excavations 被引量:50
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作者 Wengang Zhang Runhong Zhang +4 位作者 Chongzhi Wu Anthony Teck Chee Goh Suzanne Lacasse Zhongqiang Liu Hanlong Liu 《Geoscience Frontiers》 SCIE CAS CSCD 2020年第4期1095-1106,共12页
Soft computing techniques are becoming even more popular and particularly amenable to model the complex behaviors of most geotechnical engineering systems since they have demonstrated superior predictive capacity,comp... Soft computing techniques are becoming even more popular and particularly amenable to model the complex behaviors of most geotechnical engineering systems since they have demonstrated superior predictive capacity,compared to the traditional methods.This paper presents an overview of some soft computing techniques as well as their applications in underground excavations.A case study is adopted to compare the predictive performances of soft computing techniques including eXtreme Gradient Boosting(XGBoost),Multivariate Adaptive Regression Splines(MARS),Artificial Neural Networks(ANN),and Support Vector Machine(SVM) in estimating the maximum lateral wall deflection induced by braced excavation.This study also discusses the merits and the limitations of some soft computing techniques,compared with the conventional approaches available. 展开更多
关键词 Soft computing method(SCM) Underground excavations Wall deformation Predictive capacity
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