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CONSISTENCY BETWEEN INDEPENDENCE THEOREMS AND GENERALIZED SELF-CONSISTENT METHOD 被引量:1
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作者 杜丹旭 郑泉水 高蕴昕 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 1997年第4期355-365,共11页
Recently Zheng & Hwang established a series of independence theorems concerning with planar effective elastic properties. It is manifested that the estimation of the effective elastic properties of microcracked so... Recently Zheng & Hwang established a series of independence theorems concerning with planar effective elastic properties. It is manifested that the estimation of the effective elastic properties of microcracked solids through the generalized self-consistent method (GSCM) contradicts with these independence theorems. In this paper it is shown that such contradiction is actually caused by the approximate algorithm adopted, while the exact solution of GSCM is consistent with these rigorously established independence theorems. Since only an approximate algorithm in GCSM is available in dealing with problems involving non-circular inclusions or holes, an intrinsic GSCM is proposed, which can be performed based on an approximate algorithm and the corresponding estimations are consistent with the independence theorems. 展开更多
关键词 intrinsic Generalised self-consistent method INDEPENDENCE energy equivalence effective properties
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Self-consistent parabolized stability equation(PSE) method for compressible boundary layer 被引量:1
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作者 Yongming ZHANG Caihong SU 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI CSCD 2015年第7期835-846,共12页
The parabolized stability equation (PSE) method has been proven to be a useful and convenient tool for the investigation of the stability and transition problems of boundary layers. However, in its original formulat... The parabolized stability equation (PSE) method has been proven to be a useful and convenient tool for the investigation of the stability and transition problems of boundary layers. However, in its original formulation, for nonlinear problems, the complex wave number of each Fourier mode is determined by the so-called phase-locked rule, which results in non-self-consistency in the wave numbers. In this paper, a modification is proposed to make it self-consistent. The main idea is that, instead of allowing wave numbers to be complex, all wave numbers are kept real, and the growth or decay of each mode is simply manifested in the growth or decay of the modulus of its shape function. The validity of the new formulation is illustrated by comparing the results with those from the corresponding direct numerical simulation (DNS) as applied to a problem of compressible boundary layer with Mach number 6. 展开更多
关键词 parabolized stability equation (PSE) boundary layer direct numericalsimulation (DNS) self-consistent
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Accelerating Hartree-Fock Self-consistent Field Calculation on C86/DCU Heterogenous Computing Platform
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作者 Ji Qi Huimin Zhang +1 位作者 Dezun Shan Minghui Yang 《Chinese Journal of Chemical Physics》 2025年第1期81-94,I0056,共15页
In this study,we investigate the ef-ficacy of a hybrid parallel algo-rithm aiming at enhancing the speed of evaluation of two-electron repulsion integrals(ERI)and Fock matrix generation on the Hygon C86/DCU(deep compu... In this study,we investigate the ef-ficacy of a hybrid parallel algo-rithm aiming at enhancing the speed of evaluation of two-electron repulsion integrals(ERI)and Fock matrix generation on the Hygon C86/DCU(deep computing unit)heterogeneous computing platform.Multiple hybrid parallel schemes are assessed using a range of model systems,including those with up to 1200 atoms and 10000 basis func-tions.The findings of our research reveal that,during Hartree-Fock(HF)calculations,a single DCU ex-hibits 33.6 speedups over 32 C86 CPU cores.Compared with the efficiency of Wuhan Electronic Structure Package on Intel X86 and NVIDIA A100 computing platform,the Hygon platform exhibits good cost-effective-ness,showing great potential in quantum chemistry calculation and other high-performance scientific computations. 展开更多
关键词 Quantum chemistry self-consistent field HARTREE-FOCK Electron repulsion inte-grals Heterogenous parallel computing C86/deep computing unit
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Self-consistent field method and non-self-consistent field method for calculating the positron lifetime
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作者 张杰 刘建党 +1 位作者 陈祥磊 叶邦角 《Chinese Physics B》 SCIE EI CAS CSCD 2010年第11期658-661,共4页
Many methods are used to calculate the positron lifetime, these methods could be divided into two main types. The first method is atomic superposition approximation method and the second one is the so called energy ba... Many methods are used to calculate the positron lifetime, these methods could be divided into two main types. The first method is atomic superposition approximation method and the second one is the so called energy band calculation method. They are also known as the non-self-consistent field method and self-consistent field method respectively. In this paper, we first introduce the two basic methods and then, we take Si as an example and give our calculation results, these results coincide with our latest experimental results, finally, we discuss the advantages and disadvantages of the two methods. 展开更多
关键词 positron lifetime atomic superposition approzimetion method pseudopotential method
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A New Inversion-free Iterative Method for Solving the Nonlinear Matrix Equation and Its Application in Optimal Control
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作者 GAO Xiangyu XIE Weiwei ZHANG Lina 《应用数学》 北大核心 2026年第1期143-150,共8页
In this paper,we consider the maximal positive definite solution of the nonlinear matrix equation.By using the idea of Algorithm 2.1 in ZHANG(2013),a new inversion-free method with a stepsize parameter is proposed to ... In this paper,we consider the maximal positive definite solution of the nonlinear matrix equation.By using the idea of Algorithm 2.1 in ZHANG(2013),a new inversion-free method with a stepsize parameter is proposed to obtain the maximal positive definite solution of nonlinear matrix equation X+A^(*)X|^(-α)A=Q with the case 0<α≤1.Based on this method,a new iterative algorithm is developed,and its convergence proof is given.Finally,two numerical examples are provided to show the effectiveness of the proposed method. 展开更多
关键词 Nonlinear matrix equation Maximal positive definite solution Inversion-free iterative method Optimal control
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Self-consistent Clustering Analysis-Based Moving Morphable Component(SMMC)Method for Multiscale Topology Optimization
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作者 Yangfan Li Jiachen Guo +1 位作者 Hengyang Li Huihan Chen 《Acta Mechanica Solida Sinica》 SCIE EI CSCD 2023年第6期884-898,共15页
Current multiscale topology optimization restricts the solution space by enforcing the use of a few repetitive microstructures that are predetermined,and thus lack the ability for structural concerns like buckling str... Current multiscale topology optimization restricts the solution space by enforcing the use of a few repetitive microstructures that are predetermined,and thus lack the ability for structural concerns like buckling strength,robustness,and multi-functionality.Therefore,in this paper,a new multiscale concurrent topology optimization design,referred to as the self-consistent analysis-based moving morphable component(SMMC)method,is proposed.Compared with the conventional moving morphable component method,the proposed method seeks to optimize both material and structure simultaneously by explicitly designing both macrostructure and representative volume element(RVE)-level microstructures.Numerical examples with transducer design requirements are provided to demonstrate the superiority of the SMMC method in comparison to traditional methods.The proposed method has broad impact in areas of integrated industrial manufacturing design:to solve for the optimized macro and microstructures under the objective function and constraints,to calculate the structural response efficiently using a reduced-order model:self-consistent analysis,and to link the SMMC method to manufacturing(industrial manufacturing or additive manufacturing)based on the design requirements and application areas. 展开更多
关键词 Topology optimization Moving morphable component method Multiscale concurrent design Reduced-order model
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Crushing evolution in pebble bed based on a novel method:a crushable DEM study
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作者 Jian Wang Ming‑Zhun Lei +4 位作者 Ming‑Zong Liu Qi‑Gang Wu Zi‑Cong Cai Kai‑Song Wang Hai‑Shun Deng 《Nuclear Science and Techniques》 2026年第1期212-224,共13页
In this paper,a novel method for investigating the particle-crushing behavior of breeding particles in a fusion blanket is proposed.The fractal theory and Weibull distribution are combined to establish a theoretical m... In this paper,a novel method for investigating the particle-crushing behavior of breeding particles in a fusion blanket is proposed.The fractal theory and Weibull distribution are combined to establish a theoretical model,and its validity was verified using a simple impact test.A crushable discrete element method(DEM)framework is built based on the previously established theoretical model.The tensile strength,which considers the fractal theory,size effect,and Weibull variation,was assigned to each generated particle.The assigned strength is then used for crush detection by comparing it with its maximum tensile stress.Mass conservation is ensured by inserting a series of sub-particles whose total mass was equal to the quality loss.Based on the crushable DEM framework,a numerical simulation of the crushing behavior of a pebble bed with hollow cylindrical geometry under a uniaxial compression test was performed.The results of this investigation showed that the particle withstands the external load by contact and sliding at the beginning of the compression process,and the results confirmed that crushing can be considered an important method of resisting the increasing external load.A relatively regular particle arrangement aids in resisting the load and reduces the occurrence of particle crushing.However,a limit exists to the promotion of resistance.When the strain increases beyond this limit,the distribution of the crushing position tends to be isotropic over the entire pebble bed.The theoretical model and crushable DEM framework provide a new method for exploring the pebble bed in a fusion reactor,considering particle crushing. 展开更多
关键词 Crushing behavior Granular material Discrete element method Pebble bed Fractal theory
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A Deep Reinforcement Learning-Based Partitioning Method for Power System Parallel Restoration
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作者 Changcheng Li Weimeng Chang +1 位作者 Dahai Zhang Jinghan He 《Energy Engineering》 2026年第1期243-264,共22页
Effective partitioning is crucial for enabling parallel restoration of power systems after blackouts.This paper proposes a novel partitioning method based on deep reinforcement learning.First,the partitioning decision... Effective partitioning is crucial for enabling parallel restoration of power systems after blackouts.This paper proposes a novel partitioning method based on deep reinforcement learning.First,the partitioning decision process is formulated as a Markov decision process(MDP)model to maximize the modularity.Corresponding key partitioning constraints on parallel restoration are considered.Second,based on the partitioning objective and constraints,the reward function of the partitioning MDP model is set by adopting a relative deviation normalization scheme to reduce mutual interference between the reward and penalty in the reward function.The soft bonus scaling mechanism is introduced to mitigate overestimation caused by abrupt jumps in the reward.Then,the deep Q network method is applied to solve the partitioning MDP model and generate partitioning schemes.Two experience replay buffers are employed to speed up the training process of the method.Finally,case studies on the IEEE 39-bus test system demonstrate that the proposed method can generate a high-modularity partitioning result that meets all key partitioning constraints,thereby improving the parallelism and reliability of the restoration process.Moreover,simulation results demonstrate that an appropriate discount factor is crucial for ensuring both the convergence speed and the stability of the partitioning training. 展开更多
关键词 Partitioning method parallel restoration deep reinforcement learning experience replay buffer partitioning modularity
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An improved open-top dynamic chambers method for measuring the exchange fluxes of N_(2)O,NO and NH_(3) from farmland
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作者 Minhang Tan Yining Hu +6 位作者 Yifei Song Zixuan Huang Yujing Mu Junfeng Liu Chenglong Zhang Pengfei Liu Yuanyuan Zhang 《Journal of Environmental Sciences》 2026年第1期535-545,共11页
The application of nitrogen fertilizers in agricultural fields can lead to the release of nitrogen-containing gases(NCGs),such as NO_(x),NH_(3) and N_(2)O,which can significantly impact regional atmospheric environmen... The application of nitrogen fertilizers in agricultural fields can lead to the release of nitrogen-containing gases(NCGs),such as NO_(x),NH_(3) and N_(2)O,which can significantly impact regional atmospheric environment and con-tribute to global climate change.However,there remain considerable research gaps in the accurate measurement of NCGs emissions from agricultural fields,hindering the development of effective emission reduction strategies.We improved an open-top dynamic chambers(OTDCs)system and evaluated the performance by comparing the measured and given fluxes of the NCGs.The results showed that the measured fluxes of NO,N_(2)O and NH_(3)were 1%,2%and 7%lower than the given fluxes,respectively.For the determination of NH_(3) concentration,we employed a stripping coil-ion chromatograph(SC-IC)analytical technique,which demonstrated an absorption efficiency for atmospheric NH_(3) exceeding 96.1%across sampling durations of 6 to 60 min.In the summer maize season,we utilized the OTDCs system to measure the exchange fluxes of NO,NH_(3),and N_(2)O from the soil in the North China Plain.Substantial emissions of NO,NH_(3) and N_(2)O were recorded following fertilization,with peaks of 107,309,1239 ng N/(m^(2)·s),respectively.Notably,significant NCGs emissions were observed following sus-tained heavy rainfall one month after fertilization,particularly with NH_(3) peak being 4.5 times higher than that observed immediately after fertilization.Our results demonstrate that the OTDCs system accurately reflects the emission characteristics of soil NCGs and meets the requirements for long-term and continuous flux observation. 展开更多
关键词 Open-top dynamic chambers Nitrogen-containing gases Soil emissions North China Plain method evaluation
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Numerical Simulation of the Welding Deformation of Marine Thin Plates Based on a Temperature Gradient-thermal Strain Method
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作者 Lin Wang Yugang Miao +3 位作者 Zhenjian Zhuo Chunxiang Lin Benshun Zhang Duanfeng Han 《哈尔滨工程大学学报(英文版)》 2026年第1期122-135,共14页
Marine thin plates are susceptible to welding deformation owing to their low structural stiffness.Therefore,the efficient and accurate prediction of welding deformation is essential for improving welding quality.The t... Marine thin plates are susceptible to welding deformation owing to their low structural stiffness.Therefore,the efficient and accurate prediction of welding deformation is essential for improving welding quality.The traditional thermal elastic-plastic finite element method(TEP-FEM)can accurately predict welding deformation.However,its efficiency is low because of the complex nonlinear transient computation,making it difficult to meet the needs of rapid engineering evaluation.To address this challenge,this study proposes an efficient prediction method for welding deformation in marine thin plate butt welds.This method is based on the coupled temperature gradient-thermal strain method(TG-TSM)that integrates inherent strain theory with a shell element finite element model.The proposed method first extracts the distribution pattern and characteristic value of welding-induced inherent strain through TEP-FEM analysis.This strain is then converted into the equivalent thermal load applied to the shell element model for rapid computation.The proposed method-particularly,the gradual temperature gradient-thermal strain method(GTG-TSM)-achieved improved computational efficiency and consistent precision.Furthermore,the proposed method required much less computation time than the traditional TEP-FEM.Thus,this study lays the foundation for future prediction of welding deformation in more complex marine thin plates. 展开更多
关键词 Marine thin plate Welding deformation Numerical simulation Temperature gradient-thermal strain method Shell element
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Precision and trueness of a method for determing antimony content in groundwater using hydride generation-atomic fluorescence spectrometry
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作者 Bing-bing Liu Lin Zhang Ke Li 《Journal of Groundwater Science and Engineering》 2026年第1期49-58,共10页
At present,there is currently a lack of unified standard methods for the determination of antimony content in groundwater in China.The precision and trueness of related detection technologies have not yet been systema... At present,there is currently a lack of unified standard methods for the determination of antimony content in groundwater in China.The precision and trueness of related detection technologies have not yet been systematically and quantitatively evaluated,which limits the effective implementation of environmental monitoring.In response to this key technical gap,this study aimed to establish a standardized method for determining antimony in groundwater using Hydride Generation–Atomic Fluorescence Spectrometry(HG-AFS).Ten laboratories participated in inter-laboratory collaborative tests,and the statistical analysis of the test data was carried out in strict accordance with the technical specifications of GB/T 6379.2—2004 and GB/T 6379.4—2006.The consistency and outliers of the data were tested by Mandel's h and k statistics,the Grubbs test and the Cochran test,and the outliers were removed to optimize the data,thereby significantly improving the reliability and accuracy.Based on the optimized data,parameters such as the repeatability limit(r),reproducibility limit(R),and method bias value(δ)were determined,and the trueness of the method was statistically evaluated.At the same time,precision-function relationships were established,and all results met the requirements.The results show that the lower the antimony content,the lower the repeatability limit(r)and reproducibility limit(R),indicating that the measurement error mainly originates from the detection limit of the method and instrument sensitivity.Therefore,improving the instrument sensitivity and reducing the detection limit are the keys to controlling the analytical error and improving precision.This study provides reliable data support and a solid technical foundation for the establishment and evaluation of standardized methods for the determination of antimony content in groundwater. 展开更多
关键词 Mandel's h and k statistics Grubbs test Cochran test Repeatability limit Reproducibility limit method bias value
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Two new integrable couplings of the soliton hierarchies with self-consistent sources 被引量:7
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作者 夏铁成 《Chinese Physics B》 SCIE EI CAS CSCD 2010年第10期49-56,共8页
A kind of integrable coupling of soliton equations hierarchy with self-consistent sources associated with s/(4) has been presented (Yu F J and Li L 2009 Appl. Math. Comput. 207 171; Yu F J 2008 Phys. Lett. A 372 6... A kind of integrable coupling of soliton equations hierarchy with self-consistent sources associated with s/(4) has been presented (Yu F J and Li L 2009 Appl. Math. Comput. 207 171; Yu F J 2008 Phys. Lett. A 372 6613). Based on this method, we construct two integrable couplings of the soliton hierarchy with self-consistent sources by using the loop algebra sl(4). In this paper, we also point out that there are some errors in these references and we have corrected these errors and set up new formula. The method can be generalized to other soliton hierarchy with self-consistent sources. 展开更多
关键词 TC hierarchy generalized Burgers hierarchy self-consistent sources integrable couplings loop algebra
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EXTENSION OF COMBINED SELF-CONSISTENT AND MORI-TANAKA APPROACH TO EVALUATION OF ELASTOPLASTIC PROPERTY OF PARTICULATE COMPOSITES 被引量:5
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作者 Xianghe Peng Ning Hu +1 位作者 Xuesong Long Hengwei Zheng 《Acta Mechanica Solida Sinica》 SCIE EI CSCD 2013年第1期71-82,共12页
The combined self-consistent and Mori-Tanaka approach proposed for the evaluation of the effective elastic property of particulate composites is extended to evMuate the effective elastoplastic property of particulate ... The combined self-consistent and Mori-Tanaka approach proposed for the evaluation of the effective elastic property of particulate composites is extended to evMuate the effective elastoplastic property of particulate composites. Suppose there are sufficient identical particle inclusions with total volume fraction c in a representative volume element (RVE) of a particulate composite, these inclusions are separated into two groups, with volume fractions (1 -A-1)c and c/A over the RVE, respectively. We assume that the first group of inclusions has already been embedded in the original matrix to form a fictitious matrix, and the RVE of the composite consists of the fictitious matrix and the second group of particle inclusions. The property of the fictitious matrix is determined by the conventional self-consistent scheme, while the effective elastoplastic property of the composite is determined by the conventional Mori-Tanaka scheme. Analysis shows that, the conventional Mori-Tanaka scheme and self-consistent scheme can be obtained as the two limit cases of the extended approach as A = 1 and A = c~, respectively. The constitutive behavior of the inclusions in either Group I or Group II is identical, indicating the consistency in the description of the constitutive behavior in the two steps. ~klrthermore, the effective elastoplastic behavior of some typical particulate composites is analyzed, and the satisfactory agreement between the computational and experimental results demonstrates the validity of the extended approach. The introduced A can serve reasonably as a parameter, which is related to the actual property of composites and can be identified by experiments, for a more accurate evaluation of the effective elastoplastic property of particulate composites. 展开更多
关键词 particulate composite elastoplasticity effective property combined self-consistent and Mori-Tanaka approach
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Solving Non-Isospectral mKdV Equation and Sine-Gordon Equation Hierarchies with Self-Consistent Sources via Inverse Scattering Transform 被引量:2
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作者 李琪 张大军 陈登远 《Communications in Theoretical Physics》 SCIE CAS CSCD 2010年第8期219-228,共10页
N-soliton solutions of the hierarchy of non-isospectral mKdV equation with self-consistent sources andthe hierarchy of non-isospectral sine-Gordon equation with self-consistent sources are obtained via the inverse sca... N-soliton solutions of the hierarchy of non-isospectral mKdV equation with self-consistent sources andthe hierarchy of non-isospectral sine-Gordon equation with self-consistent sources are obtained via the inverse scatteringtransform. 展开更多
关键词 the non-isospectral mKdV equation with self-consistent sources the non-isospectral sine-Gordon equation with self-consistent sources the inverse scattering transform exact solutions
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A New Integrable Couplings of Classical-Boussinesq Hierarchy with Self-Consistent Sources 被引量:3
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作者 葛健芽 夏铁成 《Communications in Theoretical Physics》 SCIE CAS CSCD 2010年第7期1-6,共6页
A kind of integrable couplings of soliton equations hierarchy with self-consistent sources associated with sl(4) is presented by Yu. Based on this method, we construct a new integrable couplings of the classical-Bou... A kind of integrable couplings of soliton equations hierarchy with self-consistent sources associated with sl(4) is presented by Yu. Based on this method, we construct a new integrable couplings of the classical-Boussinesq hierarchy with self-consistent sources by using of loop algebra sl(4). In this paper, we also point out that there exist some errors in Yu's paper and have corrected these errors and set up new formula. The method can be generalized other soliton hierarchy with self-consistent sources. 展开更多
关键词 the classical-Boussinesq hierarchy self-consistent sources integrable couplings loop algebra
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Integrable Coupling System of JM Equations Hierarchy with Self-Consistent Sources 被引量:2
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作者 于发军 李丽 《Communications in Theoretical Physics》 SCIE CAS CSCD 2010年第1期6-12,共7页
We propose a systematic method for generalizing the integrable couplings of soliton eqhations hierarchy with self-consistent sources associated with s/(4). The JM equations hierarchy with self-consistent sources is ... We propose a systematic method for generalizing the integrable couplings of soliton eqhations hierarchy with self-consistent sources associated with s/(4). The JM equations hierarchy with self-consistent sources is derived. Furthermore, an integrable couplings of the JM soliton hierarchy with self-consistent sources is presented by using of the loop algebra sl(4). 展开更多
关键词 JM equations hierarchy self-consistent sources integrable couplings
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On Coupled KdV Equations with Self-consistent Sources 被引量:2
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作者 HUANG Ye-Hui WU Hong-Xia +1 位作者 XIE Xi ZENG Yun-Bo 《Communications in Theoretical Physics》 SCIE CAS CSCD 2008年第5期1091-1100,共10页
The coupled Korteweg-de Vries (CKdV) equation with self-consistent sources (CKdVESCS) and its Lax representation are derived. We present a generalized binary Darboux transformation (GBDT) with an arbitrary time-... The coupled Korteweg-de Vries (CKdV) equation with self-consistent sources (CKdVESCS) and its Lax representation are derived. We present a generalized binary Darboux transformation (GBDT) with an arbitrary time- dependent function for the CKdVESCS as well as the formula for the N-times repeated GBDT. This GBDT provides non-auto-Biicklund transformation between two CKdVESCSs with different degrees of sources and enables us to construct more generM solutions with N arbitrary t-dependent functions. We obtain positon, negaton, complexiton, and negaton- positon solutions of the CKdVESCS. 展开更多
关键词 coupled KdV equation with self-consistent sources generalized binary Darboux transformation POSITON NEGATON COMPLEXITON
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Self-consistent three-dimensional modeling and simulation of large-scale rectangular surface-wave plasma source 被引量:3
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作者 蓝朝晖 蓝朝桢 +2 位作者 胡希伟 陈兆权 刘明海 《Chinese Physics B》 SCIE EI CAS CSCD 2009年第6期2412-2419,共8页
A self-consistent and three-dimensional (3D) model of argon discharge in a large-scale rectangular surface-wave plasma (SWP) source is presented in this paper, which is based on the finite-difference time-domain ... A self-consistent and three-dimensional (3D) model of argon discharge in a large-scale rectangular surface-wave plasma (SWP) source is presented in this paper, which is based on the finite-difference time-domain (FDTD) approximation to Maxwell's equations self-consistently coupled with a fluid model for plasma evolution. The discharge characteristics at an input microwave power of 1200 W and a filling gas pressure of 50 Pa in the SWP source are analyzed. The simulation shows the time evolution of deposited power density at different stages, and the 3D distributions of electron density and temperature in the chamber at steady state. In addition, the results show that there is a peak of plasma density approximately at a vertical distance of 3 cm from the quartz window. 展开更多
关键词 FDTD method surface wave plasma fluid model
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Self-consistent assessment of Li^(+)ion cathodes:Theory vs.experiments 被引量:2
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作者 Hongjie Xu Weidong Xiao +2 位作者 Zhuo Wang Junhua Hu Guosheng Shao 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2021年第8期229-241,I0006,共14页
Transition metal oxide cathodes such as layered Li Co O_(2),spinel Li Mn_(2)O_(4)and olivine Li Fe PO4 have been commercialized for several decades and widely used in the rechargeable Li-ion batteries(LIBs).While grea... Transition metal oxide cathodes such as layered Li Co O_(2),spinel Li Mn_(2)O_(4)and olivine Li Fe PO4 have been commercialized for several decades and widely used in the rechargeable Li-ion batteries(LIBs).While great theoretical efforts have been made using the density functional theory(DFT)method,leading to insightful understanding covering materials stability and functional properties,the lack of consistency in choices of functionals and/or convergence criteria makes it somewhat difficult to compare results.It is therefore highly useful to assess these established systems towards self-consistency,thus offering a reliable working basis for theoretical formulation of novel cathodes.Here in this work,we have carried out systematic DFT calculations on the basis of recently established framework covering both thermodynamic stability,functional properties and associated mechanisms.Efforts have been made in selfconsistent selection of exchange-correlation(XC)functionals in terms of dependable accuracy with affordable computational cost,which is essential for high-throughput first-principles calculations.The outcome of the current work on three established cathode systems is in very good agreement with experimental data,and the methodology is to provide a solid basis for designing novel cathode materials without using costing non-local exchange-correlation functionals for structure-energy calculations. 展开更多
关键词 Li-ion batteries Intercalation-type oxide cathodes Ab initio approaches self-consistENCY Density functional theory
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A new six-component super soliton hierarchy and its self-consistent sources and conservation laws 被引量:1
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作者 魏含玉 夏铁成 《Chinese Physics B》 SCIE EI CAS CSCD 2016年第1期394-399,共6页
A new six-component super soliton hierarchy is obtained based on matrix Lie super algebras. Super trace identity is used to furnish the super Hamiltonian structures for the resulting nonlinear super integrable hierarc... A new six-component super soliton hierarchy is obtained based on matrix Lie super algebras. Super trace identity is used to furnish the super Hamiltonian structures for the resulting nonlinear super integrable hierarchy. After that, the self- consistent sources of the new six-component super soliton hierarchy are presented. Furthermore, we establish the infinitely many conservation laws for the integrable super soliton hierarchy. 展开更多
关键词 super Hamiltonian structures self-consistent sources conservation laws Fermi variable
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