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Numerical calculation method of virtual nodes in complex structural composites: mechanical properties characterization and numerical simulation of combined Wbraid/Al/Epoxy functional structural materials
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作者 Zhenhui He Enling Tang +3 位作者 Zhe Zhai Wenjin Yao Ruizhi Wang Yafei Han 《Defence Technology(防务技术)》 2026年第3期149-165,共17页
Existing numerical methods for complex composites, such as multiscale simulation and neural network algorithms, face significant limitations. Multiscale techniques are often prohibitively expensive for large models, w... Existing numerical methods for complex composites, such as multiscale simulation and neural network algorithms, face significant limitations. Multiscale techniques are often prohibitively expensive for large models, while neural networks struggle to represent underlying microscopic material properties. To overcome these challenges, a meso-micro scale numerical method using a virtual node approach is developed in this study. A Wbraid/Al/Epoxy functional structural material is fabricated, and a representative periodic unit cell is identified based on its architecture. The complex structure is then discretized into nodes, and mechanical interactions are governed by pre-defined computation rules. This virtual node method is systematically compared against both multiscale simulation and a neural network algorithm, with validation provided through mechanical experiments. The results demonstrate that the nodal operation strategy significantly reduces computational resource requirements. By quantifying microscopic bonding with coefficients, explicit interface treatment is avoided, granting the method strong adaptability to lattice materials. The method can simulate extremely complex structures using parameters from simple tests and is suited for large systems. Compared to three-point bending experiments, errors for multiscale, virtual node, and neural network methods were 12.4%, 6.9%, and 34.5%, respectively. Under dynamic compression, the errors were 2.7%, 9.3%, and 15.43%. The virtual node method demonstrated superior accuracy under static conditions, enabling efficient prediction and auxiliary development of complex structural materials. 展开更多
关键词 Functional composites complex structure Meso-micro scale Virtual node calculation method Numerical simulation
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Simulation of proppant transport in complex fracture networks based on the multiphase particle-in-cell method
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作者 WANG Qiang YANG Yu +7 位作者 ZHAO Jinzhou ZHUANG Wenlong XU Yanguang HOU Jie ZHANG Yixuan HU Yongquan WANG Yufeng LI Xiaowei 《Petroleum Exploration and Development》 2026年第1期249-260,共12页
A three-dimensional multiphase particle-in-cell(MP-PIC)method was adopted to establish a liquid-solid two-phase flow model accounting for complex fracture networks.The model was validated using physical experimental d... A three-dimensional multiphase particle-in-cell(MP-PIC)method was adopted to establish a liquid-solid two-phase flow model accounting for complex fracture networks.The model was validated using physical experimental data.On this basis,the main factors influencing proppant transport in fracture network were analyzed.The study shows that proppant transport in fracture network can be divided into three stages:initial filling,dominant channel formation and fracture network extension.These correspond to three transport patterns:patch-like accumulation near the wellbore,preferential placement along main fractures,and improved the coverage of planar placement as fluid flows into branch fractures.Higher proppant density,lower fracturing fluid viscosity,lower injection rate,and larger proppant grain size result in shorter proppant transport distance and smaller planar placement coefficient.The use of low-density,small-diameter proppant combined with high-viscosity fracturing fluid and appropriately increased injection rate can effectively enlarge the stimulated volume.A smaller angle between the main fracture and branch fractures leads to longer proppant banks,broader coverage,more uniform distribution,and better stimulation performance in branch fractures.In contrast,a larger angle increases the likelihood of proppant accumulation near the branch fracture entrance and reduces the planar placement coefficient. 展开更多
关键词 multiphase particle-in-cell method complex fracture network liquid-solid two-phase flow proppant transport fracturing operation parameter influencing factor
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The Variants of the MGSS Methods for Complex Symmetric Linear System of Equations
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作者 Changfeng Ma Xiaojuan Yu 《Communications in Mathematical Research》 2025年第2期173-188,共16页
Recently,inspired by a modified generalized shift-splitting iteration method for complex symmetric linear systems,we propose two variants of the modified generalized shift-splitting iteration(MGSS)methods for solving ... Recently,inspired by a modified generalized shift-splitting iteration method for complex symmetric linear systems,we propose two variants of the modified generalized shift-splitting iteration(MGSS)methods for solving com-plex symmetric linear systems.One is a parameterized MGSS iteration method and the other is a modified parameterized MGSS iteration method.We prove that the proposed methods are convergent under appropriate constraints on the parameters.In addition,we also give the eigenvalue distributions of differ-ent preconditioned matrices to verify the effectiveness of the preconditioners proposed in this paper. 展开更多
关键词 complex symmetric linear system variants of MGSS method convergence analysis
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Numerical Simulation of Complex Hydraulic Fracture Propagation in Naturally Fractured Tight Sandstone Reservoirs
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作者 Zhengrong Chen Yu Qi +4 位作者 Maojun Fang Bo Wang Xin Xie Le Sun Wei Liu 《Energy Engineering》 2026年第3期287-305,共19页
The migration,accumulation,and high yield of hydrocarbons in tight sandstone reservoirs are closely tied to the natural fracture systems within the reservoirs.Large-scale fracture networks not only enhance reservoir s... The migration,accumulation,and high yield of hydrocarbons in tight sandstone reservoirs are closely tied to the natural fracture systems within the reservoirs.Large-scale fracture networks not only enhance reservoir seepage capacity but also influence effective productivity and subsequent fracturing reconstruction.Given the diverse mechanical behaviors,such as migration,penetration,or fracture arrest,traditional assumptions about fracture interaction criteria fail to address this complexity.To resolve these issues,a global cohesive element method is proposed to model random natural fractures.This approach verifies intersection models based on real-time stress conditions rather than pre-set criteria,enabling better characterization of interactions between hydraulic and natural fractures.Research has shown that the elastic modulus,horizontal stress difference,and fracturing fluid pumping rate significantly promote the expansion of hydraulic fractures.The use of low viscosity fracturing fluid can observe a decrease in the width of fractures near the wellbore,which may cause fractures to deflect when interacting with natural fractures.However,simulations under these conditions did not form a“complex network of fractures”.It is worth noting that when the local stress difference is zero,the result is close to the formation of this network.Excessive spacing will reduce the interaction between fractures,resulting in a decrease in the total length of fractures.By comprehensively analyzing these factors,an optimal combination can be identified,increasing the likelihood of achieving a“complex fracture network”.This paper thoroughly investigates hydraulic fracture propagation in naturally fractured reservoirs under various conditions,offering insights for developing efficient fracturing methods. 展开更多
关键词 Natural fracture hydraulic fracture complex fracture network global cohesive element method
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Navigating physical activity research in complex terrains:Reflections on the challenges,opportunities,and future directions
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作者 Ding Ding 《Journal of Sport and Health Science》 2026年第3期3-5,共3页
In 2025,I had the honor of delivering keynote speeches at the conferences of the International Society for Diet and Activity Methods in Toronto,Canada,and the International Society of Behavioural Nutrition and Physica... In 2025,I had the honor of delivering keynote speeches at the conferences of the International Society for Diet and Activity Methods in Toronto,Canada,and the International Society of Behavioural Nutrition and Physical Activity in Auckland,Aotearoa,New Zealand.These opportunities prompted deep reflection on scientific research in general,and on physical activity and health research specifically. 展开更多
关键词 scientific research complex terrains future directions diet activity methods research challenges physical activity behavioural nutrition physical activity
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Tunnel ahead prospecting methods and intelligent interpretation of adverse geology:A review
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作者 Shucai Li Bin Liu +4 位作者 Lei Chen Huaifeng Sun Lichao Nie Zhengyu Liu Yuxiao Ren 《Journal of Rock Mechanics and Geotechnical Engineering》 2026年第1期1-19,共19页
Geological prospecting and the identification of adverse geological features are essential in tunnel construction,providing critical information to ensure safety and guide engineering decisions.As tunnel projects exte... Geological prospecting and the identification of adverse geological features are essential in tunnel construction,providing critical information to ensure safety and guide engineering decisions.As tunnel projects extend into deeper and more mountainous terrains,engineers face increasingly complex geological conditions,including high water pressure,intense geo-stress,elevated geothermal gradients,and active fault zones.These conditions pose substantial risks such as high-pressure water inrush,largescale collapses,and tunnel boring machine(TBM)blockages.Addressing these challenges requires advanced detection technologies capable of long-distance,high-precision,and intelligent assessments of adverse geology.This paper presents a comprehensive review of recent advancements in tunnel geological ahead prospecting methods.It summarizes the fundamental principles,technical maturity,key challenges,development trends,and real-world applications of various detection techniques.Airborne and semi-airborne geophysical methods enable large-scale reconnaissance for initial surveys in complex terrain.Tunnel-and borehole-based approaches offer high-resolution detection during excavation,including seismic ahead prospecting(SAP),TBM rock-breaking source seismic methods,fulltime-domain tunnel induced polarization(TIP),borehole electrical resistivity,and ground penetrating radar(GPR).To address scenarios involving multiple,coexisting adverse geologies,intelligent inversion and geological identification methods have been developed based on multi-source data fusion and artificial intelligence(AI)techniques.Overall,these advances significantly improve detection range,resolution,and geological characterization capabilities.The methods demonstrate strong adaptability to complex environments and provide reliable subsurface information,supporting safer and more efficient tunnel construction. 展开更多
关键词 Tunnel geological ahead prospecting complex geological and environmental conditions Airborne geophysical methods Tunnel geophysical detection Borehole geophysical prospecting Intelligent geological interpretation
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Extraction of Pumpkin Polysaccharide by Complex Enzyme Method and Its Antioxidant Research 被引量:20
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作者 孙婕 尹国友 +2 位作者 陈兰英 Guo-you Lan-ying 《Agricultural Science & Technology》 CAS 2010年第5期34-37,共4页
[Objective] This paper aims to study a new method of extracting pumpkin polysaccharide from pumpkin. Single factor experiments were conducted to examine the effects of extracting time,temperature,the solid-liquid rati... [Objective] This paper aims to study a new method of extracting pumpkin polysaccharide from pumpkin. Single factor experiments were conducted to examine the effects of extracting time,temperature,the solid-liquid ratio and pH value on the extraction yield of polysaccharide from pumpkin. [Method] The best enzyme ratio and extraction conditions for complex enzymes extraction were determined through orthogonal tests. Scavenging ·OH and O-2 activities of pumpkin polysaccharides were also investigated by salicylic acid and improved self-oxidation of o-pheno methods respectively. [Results] The results showed that the biggest extraction yield of polysaccharide from pumpkin can be got when adding 1% cellulose enzyme,1.5% pectinase,1.0% papain and Na2HPO4-citric acid buffer solution (pH was 4.6),and oscillating for 30 min under water at 40 ℃ with the solid-liquid ratio of 1:30. In addition,pumpkin polysaccharides had a strong activity of eliminating ·OH,but very weak activity to scavenge O-2. [Conclusion] This study provided basic data for research and application of Pumpkin polysaccharide. 展开更多
关键词 complex enzymes method Pumpkin polysaccharide Extraction Antioxidant activity
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Computational Complex Method for Finite Elastic Plane Problem with Multiple Elliptical Holes 被引量:2
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作者 王林江 林佳铿 《应用基础与工程科学学报》 EI CSCD 1998年第4期5-12,共8页
把多复变量应力函数和边界配点最小二乘法相结合,计算含有任意多个椭圆孔有限大小弹性板的应力场.每个孔的大小、位置为任意.板的边界由下列四种边界条件以及它们的组合所组成:1)已知Px和Py的应力边界,2)已知Vx和Vy的... 把多复变量应力函数和边界配点最小二乘法相结合,计算含有任意多个椭圆孔有限大小弹性板的应力场.每个孔的大小、位置为任意.板的边界由下列四种边界条件以及它们的组合所组成:1)已知Px和Py的应力边界,2)已知Vx和Vy的位移边界,3)已知法向位移VN和切向力PT的混合边界,4)已知法向力PN和切向位移VT的混合边界.编制了相应的FORTRAN程序,进行考题和算例分析,结果表明本方法行之有效. 展开更多
关键词 弹性板孔 应力分析 计算复变函数
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Species distribution of polymeric aluminium ferrum——timed complexation colorimetric analysis method of Al-Fe-Ferron 被引量:8
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作者 Hu, YY Tu, CQ Wu, HH 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2001年第4期418-421,共4页
The effects of the calorimetric buffer solutions were investigated while the two colorimetric reactions of AI-ferron complex and Fe-ferron complex occurred individually, and the effects of the testing wavelength and t... The effects of the calorimetric buffer solutions were investigated while the two colorimetric reactions of AI-ferron complex and Fe-ferron complex occurred individually, and the effects of the testing wavelength and the pH of the solutions were also investigated. A timed complexatian colorimetric analysis method of Al-Fe-ferron in view of the total concentration of {AI + Fe} was then established to determine the species distribution of polymeric Al-Fe. The testing wavelength was recommended at 362 net and the testing pH value was 5. With a comparison of the ratios of n(Al)/n(Fe), the standard adsorption curves of the polymeric Al-Fe solutions were derived from the experimental results. Furthermore, the solutions' composition were carious in both the molar n(Al)/n(Fe) ratios, i.e. 0/0, 5/5, 9/1 and 0/10, and the concentrations associated with the total ( Al + Fe which ranged from 10(-5) to 10(-4) mol/L.. 展开更多
关键词 polymeric aluminum-ferrum species distribution timed complexation colarimetric analysis method Al-Fe-ferron
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Identifying influential spreaders in complex networks based on entropy weight method and gravity law 被引量:11
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作者 Xiao-Li Yan Ya-Peng Cui Shun-Jiang Ni 《Chinese Physics B》 SCIE EI CAS CSCD 2020年第4期582-590,共9页
In complex networks,identifying influential spreader is of great significance for improving the reliability of networks and ensuring the safe and effective operation of networks.Nowadays,it is widely used in power net... In complex networks,identifying influential spreader is of great significance for improving the reliability of networks and ensuring the safe and effective operation of networks.Nowadays,it is widely used in power networks,aviation networks,computer networks,and social networks,and so on.Traditional centrality methods mainly include degree centrality,closeness centrality,betweenness centrality,eigenvector centrality,k-shell,etc.However,single centrality method is onesided and inaccurate,and sometimes many nodes have the same centrality value,namely the same ranking result,which makes it difficult to distinguish between nodes.According to several classical methods of identifying influential nodes,in this paper we propose a novel method that is more full-scaled and universally applicable.Taken into account in this method are several aspects of node’s properties,including local topological characteristics,central location of nodes,propagation characteristics,and properties of neighbor nodes.In view of the idea of the multi-attribute decision-making,we regard the basic centrality method as node’s attribute and use the entropy weight method to weigh different attributes,and obtain node’s combined centrality.Then,the combined centrality is applied to the gravity law to comprehensively identify influential nodes in networks.Finally,the classical susceptible-infected-recovered(SIR)model is used to simulate the epidemic spreading in six real-society networks.Our proposed method not only considers the four topological properties of nodes,but also emphasizes the influence of neighbor nodes from the aspect of gravity.It is proved that the new method can effectively overcome the disadvantages of single centrality method and increase the accuracy of identifying influential nodes,which is of great significance for monitoring and controlling the complex networks. 展开更多
关键词 complex networks influential NODES ENTROPY WEIGHT method GRAVITY LAW
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An improved complex variable element-free Galerkin method for two-dimensional elasticity problems 被引量:4
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作者 Bai Fu-Nong Li Dong-Ming +1 位作者 Wang Jian-Fei Cheng Yu-Min 《Chinese Physics B》 SCIE EI CAS CSCD 2012年第2期56-65,共10页
In this paper, the improved complex variable moving least-squares (ICVMLS) approximation is presented. The ICVMLS approximation has an explicit physics meaning. Compared with the complex variable moving least-squar... In this paper, the improved complex variable moving least-squares (ICVMLS) approximation is presented. The ICVMLS approximation has an explicit physics meaning. Compared with the complex variable moving least-squares (CVMLS) approximations presented by Cheng and Ren, the ICVMLS approximation has a great computational precision and efficiency. Based on the element-free Galerkin (EFG) method and the ICVMLS approximation, the improved complex variable element-free Galerkin (ICVEFG) method is presented for two-dimensional elasticity problems, and the corresponding formulae are obtained. Compared with the conventional EFC method, the ICVEFG method has a great computational accuracy and efficiency. For the purpose of demonstration, three selected numerical examples are solved using the ICVEFG method. 展开更多
关键词 meshless method improved complex variable moving least-squares approximation improved complex variable element-free Galerkin method ELASTICITY
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A new complex variable element-free Galerkin method for two-dimensional potential problems 被引量:4
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作者 程玉民 王健菲 白福浓 《Chinese Physics B》 SCIE EI CAS CSCD 2012年第9期43-52,共10页
In this paper, based on the element-free Galerkin (EFG) method and the improved complex variable moving least- square (ICVMLS) approximation, a new meshless method, which is the improved complex variable element-f... In this paper, based on the element-free Galerkin (EFG) method and the improved complex variable moving least- square (ICVMLS) approximation, a new meshless method, which is the improved complex variable element-free Galerkin (ICVEFG) method for two-dimensional potential problems, is presented. In the method, the integral weak form of control equations is employed, and the Lagrange multiplier is used to apply the essential boundary conditions. Then the corresponding formulas of the ICVEFG method for two-dimensional potential problems are obtained. Compared with the complex variable moving least-square (CVMLS) approximation proposed by Cheng, the functional in the ICVMLS approximation has an explicit physical meaning. Furthermore, the ICVEFG method has greater computational precision and efficiency. Three numerical examples are given to show the validity of the proposed method. 展开更多
关键词 meshless method improved complex variable moving least-square approximation im- proved complex variable element-free Galerkin method potential problem
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Analysis of elastoplasticity problems using an improved complex variable element-free Galerkin method 被引量:3
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作者 程玉民 刘超 +1 位作者 白福浓 彭妙娟 《Chinese Physics B》 SCIE EI CAS CSCD 2015年第10期16-25,共10页
In this paper, based on the conjugate of the complex basis function, a new complex variable moving least-squares approximation is discussed. Then using the new approximation to obtain the shape function, an improved c... In this paper, based on the conjugate of the complex basis function, a new complex variable moving least-squares approximation is discussed. Then using the new approximation to obtain the shape function, an improved complex variable element-free Galerkin(ICVEFG) method is presented for two-dimensional(2D) elastoplasticity problems. Compared with the previous complex variable moving least-squares approximation, the new approximation has greater computational precision and efficiency. Using the penalty method to apply the essential boundary conditions, and using the constrained Galerkin weak form of 2D elastoplasticity to obtain the system equations, we obtain the corresponding formulae of the ICVEFG method for 2D elastoplasticity. Three selected numerical examples are presented using the ICVEFG method to show that the ICVEFG method has the advantages such as greater precision and computational efficiency over the conventional meshless methods. 展开更多
关键词 meshless method complex variable moving least-squares approximation improved complex vari- able element-free Galerkin method elastoplasticity
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A new complex variable meshless method for transient heat conduction problems 被引量:5
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作者 王健菲 程玉民 《Chinese Physics B》 SCIE EI CAS CSCD 2012年第12期42-50,共9页
In this paper, based on the improved complex variable moving least-square (ICVMLS) approximation, a new complex variable meshless method (CVMM) for two-dimensional (2D) transient heat conduction problems is pres... In this paper, based on the improved complex variable moving least-square (ICVMLS) approximation, a new complex variable meshless method (CVMM) for two-dimensional (2D) transient heat conduction problems is presented. The variational method is employed to obtain the discrete equations, and the essential boundary conditions are imposed by the penalty method. As the transient heat conduction problems are related to time, the Crank-Nicolson difference scheme for two-point boundary value problems is selected for the time discretization. Then the corresponding formulae of the CVMM for 2D heat conduction problems are obtained. In order to demonstrate the applicability of the proposed method, numerical examples are given to show the high convergence rate, good accuracy, and high efficiency of the CVMM presented in this paper. 展开更多
关键词 meshless method improved complex variable moving least-square approximation com-plex variable meshless method transient heat conduction problem
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Formation process and mechanism of humic acid-kaolin complex determined by carbamazepine sorption experiments and various characterization methods 被引量:3
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作者 Fei Wang Jiangtao He +3 位作者 Baonan He Xiaojing Zhu Xiaocui Qiao Liuyue Peng 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2018年第7期251-260,共10页
To explore the formation process and mechanism of organic matter and organic-mineral complex under humification and mineralization conditions, a series of samples including humic acid, kaolin, and humic acid-kaolin co... To explore the formation process and mechanism of organic matter and organic-mineral complex under humification and mineralization conditions, a series of samples including humic acid, kaolin, and humic acid-kaolin complex were prepared using a subcritical water treatment method(SWT) under specific temperature, pressure and reaction time conditions. HA was used as a surrogate for natural organic matter because it has a similar abundant pore structure,variety of carbon types, and chemical components. These samples were used in carbamazepine(CBZ) sorption experiments and characterized by a variety of techniques. The polymerization of humic acid under the conditions of increased temperature and pressure resulted in an increase in specific surface area and molecular quantity. In addition, the degree of aromaticity rose from59.52% to 70.90%. These changes were consistent with the transformation from ‘soft carbon' to‘hard carbon' that occurs in nature. The results of sorption experiments confirmed the interaction between humic acid and kaolin from the difference between the predicted and actual Qevalues. The conceptual model of humic acid-kaolin complex could be deduced and described as follows. Firstly, the aromatic components of humic acid preferentially combine with kaolin through the intercalation effect, which protects them from the treatment effects.Next, the free carboxyl groups and small aliphatic components of humic acid interact on the surface of kaolin, and these soft species transform into dense carbon through cyclization and polymerization. As a result, humic acid-kaolin complex with a mineral core and dense outer carbonaceous patches were formed. 展开更多
关键词 Humic acid KAOLIN Organic-mineral complex Subcritical water treatment method SORPTION
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Complex variable element-free Galerkin method for viscoelasticity problems 被引量:2
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作者 程玉民 李荣鑫 彭妙娟 《Chinese Physics B》 SCIE EI CAS CSCD 2012年第9期60-71,共12页
Based on the complex variable moving least-square (CVMLS) approximation, the complex variable element-free Galerkin (CVEFG) method for two-dimensional viscoelasticity problems under the creep condition is presente... Based on the complex variable moving least-square (CVMLS) approximation, the complex variable element-free Galerkin (CVEFG) method for two-dimensional viscoelasticity problems under the creep condition is presented in this paper. The Galerkin weak form is employed to obtain the equation system, and the penalty method is used to apply the essential boundary conditions, then the corresponding formulae of the CVEFG method for two-dimensional viscoelasticity problems under the creep condition are obtained. Compared with the element-free Galerkin (EFG) method, with the same node distribution, the CVEFG method has higher precision, and to obtain the similar precision, the CVEFG method has greater computational efficiency. Some numerical examples are given to demonstrate the validity and the efficiency of the method. 展开更多
关键词 meshless method complex variable moving least-square approximation complex variableelement-free Galerkin method VISCOELASTICITY
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The complex variable reproducing kernel particle method for two-dimensional elastodynamics 被引量:2
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作者 陈丽 程玉民 《Chinese Physics B》 SCIE EI CAS CSCD 2010年第9期59-70,共12页
On the basis of the reproducing kernel particle method (RKPM), a new meshless method, which is called the complex variable reproducing kernel particle method (CVRKPM), for two-dimensional elastodynamics is present... On the basis of the reproducing kernel particle method (RKPM), a new meshless method, which is called the complex variable reproducing kernel particle method (CVRKPM), for two-dimensional elastodynamics is presented in this paper. The advantages of the CVRKPM are that the correction function of a two-dimensional problem is formed with one-dimensional basis function when the shape function is obtained. The Galerkin weak form is employed to obtain the discretised system equations, and implicit time integration method, which is the Newmark method, is used for time history analysis. And the penalty method is employed to apply the essential boundary conditions. Then the corresponding formulae of the CVRKPM for two-dimensional elastodynamics are obtained. Three numerical examples of two-dimensional elastodynamics are presented, and the CVRKPM results are compared with the ones of the RKPM and analytical solutions. It is evident that the numerical results of the CVRKPM are in excellent agreement with the analytical solution, and that the CVRKPM has greater precision than the RKPM. 展开更多
关键词 meshless method reproducing kernel particle method complex variable reproducing kernel particle method elastodvnamics
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WAVE SUPERPOSITION METHOD BASED ON VIRTUAL SOURCE BOUNDARY WITH COMPLEX RADIUS VECTOR FOR SOLVING ACOUSTIC RADIATION PROBLEMS 被引量:3
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作者 XiangYu HuangYuying MaXiaoqiang 《Acta Mechanica Solida Sinica》 SCIE EI 2004年第1期12-19,共8页
By virtue of the comparability between the wave superposition method and the dynamic analysis of structures, a general format for overcoming the non-uniqueness of solution induced by the wave superposition method at t... By virtue of the comparability between the wave superposition method and the dynamic analysis of structures, a general format for overcoming the non-uniqueness of solution induced by the wave superposition method at the eigenfrequencies of the corresponding interior problems is proposed. By adding appropriate damp to the virtual source system of the wave superposition method, the unique solutions for all wave numbers can be ensured. Based on this thought, a novel method-wave superposition method with complex radius vector is constructed. Not only is the computational time of this method approximately equal to that of the standard wave superposition method, but also the accuracy is much higher compared with other correlative methods. Finally, by taking the pulsating sphere and oscillating sphere as examples, the results of calculation show that the present method can effectively overcome the non-uniqueness problem. 展开更多
关键词 virtual boundary integral equation wave superposition method wave superposition method with complex radius vector acoustic radiation virtual damp
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Quantitative Structure Anti-Cancer Activity Relationship (QSAR) of a Series of Ruthenium Complex Azopyridine by the Density Functional Theory (DFT) Method 被引量:5
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作者 Kouakou Nobel N’guessan Mamadou Guy-Richard Koné +2 位作者 Kafoumba Bamba Ouattara Wawohinlin Patrice Nahossé Ziao 《Computational Molecular Bioscience》 2017年第2期19-31,共13页
A series of ruthenium azopyridine complexes have recently been investigated due to their potential cytotoxic activities against renal cancer (A498), lung cancer (H226), ovarian cancer (IGROV), breast cancer (MCF-7) an... A series of ruthenium azopyridine complexes have recently been investigated due to their potential cytotoxic activities against renal cancer (A498), lung cancer (H226), ovarian cancer (IGROV), breast cancer (MCF-7) and colon cancer (WIDR). Thus, in order to predict the cytotoxic potentials of these compounds, quantitative structure-activity relationship studies were carried out using the methods of quantum chemistry. Five Quantitative Structure Activity Relationship (QSAR) models were obtained from the determined quantum descriptors and the different activities. The models present the following statistical indicators: regression correlation coefficient R2 = 0.986 - 0.905, standard deviation S = 0.516 - 0.153, Fischer test F = 106.718 - 14.220, correlation coefficient of cross-validation = 0.985- 0.895 and = 0.010 - 0.001. The statistical characteristics of the established QSAR models satisfy the acceptance and external validation criteria, thereby accrediting their good performance. The models developed show that the variation of the free enthalpy of reaction , the dipole moment μ and the charge of the ligand in the complex Ql, are the explanatory and predictive quantum descriptors correlated with the values of the anti-cancer activity of the studied complexes. Moreover, the charge of the ligand is the priority descriptor for the prediction of the cytotoxicity of the compounds studied. Furthermore, QSAR models developed are statistically significant and predictive, and could be used for the design and synthesis of new anti-cancer molecules. 展开更多
关键词 RUTHENIUM Azopyridine complex ANTI-CANCER QSAR DFT method
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Risk calculation method for complex engineering system 被引量:2
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作者 Li-ping WANG Yan-ke ZHANG Chang-ming JI Ji-qing LI 《Water Science and Engineering》 EI CAS 2011年第3期345-355,共11页
This paper presents a rapid and simple risk calculation method for large and complex engineering systems, the simulated maximum entropy method (SMEM), which is based on integration of the advantages of the Monte Car... This paper presents a rapid and simple risk calculation method for large and complex engineering systems, the simulated maximum entropy method (SMEM), which is based on integration of the advantages of the Monte Carlo and maximum entropy methods, thus avoiding the shortcoming of the slow convergence rate of the Monte Carlo method in risk calculation. Application of SMEM in the calculation of reservoir flood discharge risk shows that this method can make full use of the known information under the same conditions and obtain the corresponding probability distribution and the risk value. It not only greatly improves the speed, compared with the Monte Carlo method, but also provides a new approach for the risk calculation in large and complex engineering systems. 展开更多
关键词 simulated maximum entropy method risk calculation Monte Carlo method complex engineering system
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