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非线性模型能否线性化的实用判据 被引量:10
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作者 王新洲 《武汉测绘科技大学学报》 CSCD 1999年第2期145-148,共4页
定义了非线性模型的固有非线性性和参数效应非线性性,提出了一个新的实用判断准则。该准则具有计算简单、判断准确、结论惟一等优点。
关键词 非线性模型 非线性强度 线性化 测量 误差
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Sliding mode tracking control for miniature unmanned helicopters 被引量:10
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作者 Xian Bin Guo Jianchuan +1 位作者 Zhang Yao Zhao Bo 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2015年第1期277-284,共8页
A sliding mode control design for a miniature unmanned helicopter is presented. The control objective is to let the helicopter track some predefined velocity and yaw trajectories. A new sliding mode control design met... A sliding mode control design for a miniature unmanned helicopter is presented. The control objective is to let the helicopter track some predefined velocity and yaw trajectories. A new sliding mode control design method is developed based on a linearized dynamic model. In order to facilitate the control design, the helicopter's dynamic model is divided into two subsystems,such as the longitudinal-lateral and the heading-heave subsystem. The proposed controller employs sliding mode control technique to compensate for the immeasurable flapping angles' dynamic effects and external disturbances. The global asymptotic stability(GAS) of the closed-loop system is proved by the Lyapunov based stability analysis. Numerical simulations demonstrate that the proposed controller can achieve superior tracking performance compared with the proportionalintegral-derivative(PID) and linear-quadratic regulator(LQR) cascaded controller in the presence of wind gust disturbances. 展开更多
关键词 unmanned sliding miniature compensate quadratic cascaded subsystem disturbance facilitate linearized
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Analysis of L1-Galerkin FEMs for Time-Fractional Nonlinear Parabolic Problems 被引量:8
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作者 Dongfang Li Hong-Lin Liao +2 位作者 Weiwei Sun Jilu Wang Jiwei Zhang 《Communications in Computational Physics》 SCIE 2018年第6期86-103,共18页
This paper is concerned with numerical solutions of time-fractional nonlinear parabolic problems by a class of L1-Galerkin finite element methods.The analysis of L1 methods for time-fractional nonlinear problems is li... This paper is concerned with numerical solutions of time-fractional nonlinear parabolic problems by a class of L1-Galerkin finite element methods.The analysis of L1 methods for time-fractional nonlinear problems is limited mainly due to the lack of a fundamental Gronwall type inequality.In this paper,we establish such a fundamental inequality for the L1 approximation to the Caputo fractional derivative.In terms of the Gronwall type inequality,we provide optimal error estimates of several fully discrete linearized Galerkin finite element methods for nonlinear problems.The theoretical results are illustrated by applying our proposed methods to the time fractional nonlinear Huxley equation and time fractional Fisher equation. 展开更多
关键词 Time-fractional nonlinear parabolic problems L1-Galerkin FEMs Error estimates discrete fractional Gronwall type inequality linearized schemes
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非线性时滞差分方程的线性化振动性 被引量:3
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作者 唐先华 庾建设 《数学学报(中文版)》 SCIE CSCD 北大核心 2002年第3期517-518,共2页
本文分临界和非临界两种情形,建立了非线性时滞差分方程与其线性化方程振动性等价定理,推广和改进已有的工作.作为推论,修正了文[2]中主要定理的错误.
关键词 时滞差分方程 线性化 临界状态 振动
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Adaptive Linearized Alternating Direction Method of Multipliers for Non-Convex Compositely Regularized Optimization Problems 被引量:5
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作者 Linbo Qiao Bofeng Zhang +1 位作者 Xicheng Lu Jinshu Su 《Tsinghua Science and Technology》 SCIE EI CAS CSCD 2017年第3期328-341,共14页
We consider a wide range of non-convex regularized minimization problems, where the non-convex regularization term is composite with a linear function engaged in sparse learning. Recent theoretical investigations have... We consider a wide range of non-convex regularized minimization problems, where the non-convex regularization term is composite with a linear function engaged in sparse learning. Recent theoretical investigations have demonstrated their superiority over their convex counterparts. The computational challenge lies in the fact that the proximal mapping associated with non-convex regularization is not easily obtained due to the imposed linear composition. Fortunately, the problem structure allows one to introduce an auxiliary variable and reformulate it as an optimization problem with linear constraints, which can be solved using the Linearized Alternating Direction Method of Multipliers (LADMM). Despite the success of LADMM in practice, it remains unknown whether LADMM is convergent in solving such non-convex compositely regularized optimizations. In this research, we first present a detailed convergence analysis of the LADMM algorithm for solving a non-convex compositely regularized optimization problem with a large class of non-convex penalties. Furthermore, we propose an Adaptive LADMM (AdaLADMM) algorithm with a line-search criterion. Experimental results on different genres of datasets validate the efficacy of the proposed algorithm. 展开更多
关键词 adaptive linearized alternating direction method of multipliers non-convex compositely regularizedoptimization cappled-ll regularized logistic regression
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Electronic structures and magnetism of Fe nanowires on Cu(001) and Ag(O01): A first-principles study 被引量:4
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作者 金迎九 林景波 李在一 《Chinese Physics B》 SCIE EI CAS CSCD 2007年第2期506-510,共5页
The electronic structures and magnetism of Fe nanowires along the [110] direction on Cu(001) and Ag(001) [Fe(nw)/Cu(001) and Fe(nw)/Ag(001)] are investigated by using the all-electron full-potential linear... The electronic structures and magnetism of Fe nanowires along the [110] direction on Cu(001) and Ag(001) [Fe(nw)/Cu(001) and Fe(nw)/Ag(001)] are investigated by using the all-electron full-potential linearized augmented plane wave method in the generalized gradient approximation. It is found that the magnetic moment of Fe atom for the Fe(nw)/Cu(001) is 2.99#B, which is slightly smaller than that (3.02μB) for the Fe(nw)/Ag(001) but much larger than that (2.22μB) for the bcc iron. The great enhancement of magnetic moment in the Fe nanowires can be explained by the Fe d-band narrowing and enhancement of the spin-splitting due to a reduction in coordination number, From the calculated spin-polarized layer-projected density of states, it is found that the Fe 3d-states are strongly hybridized with the adjacent Cu 3d-states in the Fe(nw)/Cu(001), and there exists a strong hybridization between the Fe sp-and the adjacent Ag 4d-states in the Fe(nw)/Ag(001). 展开更多
关键词 NANOWIRE electronic structure MAGNETISM full-potential linearized augmented plane wave
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Stability and Time-Step Constraints of Implicit-Explicit Runge-Kutta Methods for the Linearized Korteweg-de Vries Equation
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作者 Joseph Hunter Zheng Sun Yulong Xing 《Communications on Applied Mathematics and Computation》 EI 2024年第1期658-687,共30页
This paper provides a study on the stability and time-step constraints of solving the linearized Korteweg-de Vries(KdV)equation,using implicit-explicit(IMEX)Runge-Kutta(RK)time integration methods combined with either... This paper provides a study on the stability and time-step constraints of solving the linearized Korteweg-de Vries(KdV)equation,using implicit-explicit(IMEX)Runge-Kutta(RK)time integration methods combined with either finite difference(FD)or local discontinuous Galerkin(DG)spatial discretization.We analyze the stability of the fully discrete scheme,on a uniform mesh with periodic boundary conditions,using the Fourier method.For the linearized KdV equation,the IMEX schemes are stable under the standard Courant-Friedrichs-Lewy(CFL)conditionτ≤λh.Here,λis the CFL number,τis the time-step size,and h is the spatial mesh size.We study several IMEX schemes and characterize their CFL number as a function ofθ=d/h^(2)with d being the dispersion coefficient,which leads to several interesting observations.We also investigate the asymptotic behaviors of the CFL number for sufficiently refined meshes and derive the necessary conditions for the asymptotic stability of the IMEX-RK methods.Some numerical experiments are provided in the paper to illustrate the performance of IMEX methods under different time-step constraints. 展开更多
关键词 linearized Korteweg-de Vries(KdV)equation Implicit-explicit(IMEX)Runge-Kutta(RK)method STABILITY Courant-Friedrichs-Lewy(CFL)condition Finite difference(FD)method Local discontinuous Galerkin(DG)method
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CONVERGENCE ANALYSIS OF NONCONFORMING QUADRILATERAL FINITE ELEMENT METHODS FOR NONLINEAR COUPLED SCHRODINGER-HELMHOLTZ EQUATIONS
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作者 Dongyang Shi Houchao Zhang 《Journal of Computational Mathematics》 SCIE CSCD 2024年第4期979-998,共20页
The focus of this paper is on two novel linearized Crank-Nicolson schemes with nonconforming quadrilateral finite element methods(FEMs)for the nonlinear coupled Schrodinger-Helmholtz equations.Optimal L^(2) and H^(1) ... The focus of this paper is on two novel linearized Crank-Nicolson schemes with nonconforming quadrilateral finite element methods(FEMs)for the nonlinear coupled Schrodinger-Helmholtz equations.Optimal L^(2) and H^(1) estimates of orders O(h^(2)+τ^(2))and O(h^(2)+τ^(2))are derived respectively without any grid-ratio condition through the following two keys.One is that a time-discrete system is introduced to split the error into the temporal error and the spatial error,which leads to optimal temporal error estimates of order O(τ^(2))in L^(2) and the broken H^(1)-norms,as well as the uniform boundness of numerical solutions in L^(∞) norm.The other is that a novel projection is utilized,which can iron out the difficulty of the existence of the consistency errors.This leads to derive optimal spatial error estimates of orders O(h^(2))in L^(2)-norm and O(h)in the broken H^(1)-norm under the H^(2) regularity of the solutions for the time-discrete system.At last,two numerical examples are provided to confirm the theoretical analysis.Here,h is the subdivision parameter,and τ is the time step. 展开更多
关键词 Schrodinger-Helmholtz equations Nonconforming FEMs linearized Crank-Nicolson scheme Optimal error estimates
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基于高斯-牛顿法的水下导航系统校准算法研究 被引量:5
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作者 吴媛媛 张森 郭锦标 《舰船电子工程》 2018年第11期48-52,共5页
多正交信号水下导航系统可以实现对水下及水上目标的导航与定位,系统的校准算法是其定位准确性的一项关键技术。基于高斯-牛顿法的多正交信号水下导航系统的校准算法,可以将非线性的问题近似线性化。利用不同坐标系之间的转换关系,通过... 多正交信号水下导航系统可以实现对水下及水上目标的导航与定位,系统的校准算法是其定位准确性的一项关键技术。基于高斯-牛顿法的多正交信号水下导航系统的校准算法,可以将非线性的问题近似线性化。利用不同坐标系之间的转换关系,通过迭代计算得到水下发射源信标的地理坐标和姿态偏角。通过仿真表明,水下信标位置估计的精度与GPS测量误差和声学测距精度有关,小角度水下信标的姿态估计稳健性强。 展开更多
关键词 高斯一牛顿法 线性化 位置估计 姿态估计
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Nonlinear free vibration of piezoelectric semiconductor doubly-curved shells based on nonlinear drift-diffusion model 被引量:1
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作者 Changsong ZHU Xueqian FANG Jinxi LIU 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI CSCD 2023年第10期1761-1776,共16页
In this paper, the nonlinear free vibration behaviors of the piezoelectric semiconductor(PS) doubly-curved shell resting on the Pasternak foundation are studied within the framework of the nonlinear drift-diffusion(NL... In this paper, the nonlinear free vibration behaviors of the piezoelectric semiconductor(PS) doubly-curved shell resting on the Pasternak foundation are studied within the framework of the nonlinear drift-diffusion(NLDD) model and the first-order shear deformation theory. The nonlinear constitutive relations are presented, and the strain energy, kinetic energy, and virtual work of the PS doubly-curved shell are derived.Based on Hamilton's principle as well as the condition of charge continuity, the nonlinear governing equations are achieved, and then these equations are solved by means of an efficient iteration method. Several numerical examples are given to show the effect of the nonlinear drift current, elastic foundation parameters as well as geometric parameters on the nonlinear vibration frequency, and the damping characteristic of the PS doublycurved shell. The main innovations of the manuscript are that the difference between the linearized drift-diffusion(LDD) model and the NLDD model is revealed, and an effective method is proposed to select a proper initial electron concentration for the LDD model. 展开更多
关键词 nonlinear free vibration piezoelectric semiconductor(PS)doubly-curved shell nonlinear drift-diffusion(NLDD)model linearized drift-diffusion(LDD)model
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Encoding Energy-Density as Geometry 被引量:3
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作者 Edwin Eugene Klingman 《Journal of Modern Physics》 2021年第9期1190-1209,共20页
Physicists possess an intuitive awareness of Euclidian space and time and Galilean transformation, and are then challenged with Minkowski space-time and Einstein’s curved space-time. Relativistic experiments support ... Physicists possess an intuitive awareness of Euclidian space and time and Galilean transformation, and are then challenged with Minkowski space-time and Einstein’s curved space-time. Relativistic experiments support the “time-dilation” interpretation and others support “curved space-time” interpretation. In this, and related work, we investigate the key issues in terms of the intuitive space-time frame. In particular, we provide alternative approaches to explain “time dilation” and to explain the energy density for gravity systems. We approach the latter problem from an information perspective. 展开更多
关键词 Curved Space-Time Gravitational Energy Stress-Energy Tensor Encoding Information in Geometry Time Dilation Equivalence Principle Minkowski Relation Schwarzschild Metric linearized General Relativity COSMOLOGY
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Calculation of Electronic Structure of Anatase TiO_2 Doped with Transition Metal V,Cr,Fe and Cu Atoms by the Linearized Augmented Plane Wave Method 被引量:2
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作者 廖斌 覃礼钊 +3 位作者 吴先映 侯兴刚 程肯 刘安东 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2009年第7期869-873,共5页
The electronic density of states and band structures of doped and un-doped anatase TiO2 were studied by the Linearized Augmented Plane Wave method based on the density functional theory. The calculation shows that the... The electronic density of states and band structures of doped and un-doped anatase TiO2 were studied by the Linearized Augmented Plane Wave method based on the density functional theory. The calculation shows that the band structures of TiO2 crystals doped with transition metal atoms become narrower. Interesting, an excursion towards high energy level with increasing atomic number in the same element period could be observed after doping with transition metal atoms. 展开更多
关键词 linearized augmented plane wave DOPED anatase Ti02 transition metal energy band
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A Novel Method to Enhance the Inversion Speed and Precision of the NMR T_(2) Spectrum by the TSVD Based Linearized Bregman Iteration
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作者 Yiguo Chen Congjun Feng +4 位作者 Yonghong He Zhijun Chen Xiaowei Fan Chao Wang Xinmin Ge 《Computer Modeling in Engineering & Sciences》 SCIE EI 2023年第9期2451-2463,共13页
The low-field nuclear magnetic resonance(NMR)technique has been used to probe the pore size distribution and the fluid composition in geophysical prospecting and related fields.However,the speed and accuracy of the ex... The low-field nuclear magnetic resonance(NMR)technique has been used to probe the pore size distribution and the fluid composition in geophysical prospecting and related fields.However,the speed and accuracy of the existing numerical inversion methods are still challenging due to the ill-posed nature of the first kind Fredholm integral equation and the contamination of the noises.This paper proposes a novel inversion algorithmto accelerate the convergence and enhance the precision using empirical truncated singular value decompositions(TSVD)and the linearized Bregman iteration.The L1 penalty term is applied to construct the objective function,and then the linearized Bregman iteration is utilized to obtain fast convergence.To reduce the complexity of the computation,empirical TSVD is proposed to compress the kernel matrix and determine the appropriate truncated position.This novel inversion method is validated using numerical simulations.The results indicate that the proposed novel method is significantly efficient and can achieve quick and effective data solutions with low signal-to-noise ratios. 展开更多
关键词 Low field nuclear magnetic resonance linearized bregman iteration truncated singular value decomposition numerical simulations
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Dynamics and Control of Flexible Satellite Using Reaction Sphere Actuators
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作者 Javad Tayebi Ti Chen Hao Wang 《Space(Science & Technology)》 EI 2023年第1期528-538,共11页
This paper presents a disturbance observer-based linear quadratic Gaussian(LQG)control strategy to stabilize the flexible spacecraft considering the vibration suppression of flexible appendages using an orthogonal clu... This paper presents a disturbance observer-based linear quadratic Gaussian(LQG)control strategy to stabilize the flexible spacecraft considering the vibration suppression of flexible appendages using an orthogonal cluster of magnetically suspended reaction sphere actuators.The nonlinear dynamic equation of a flexible satellite is given and then linearized using the Jacobian method to get a linear state-space model.The dynamic equation of the reaction sphere actuators is derived by considering 2 virtual gimbals.A new steering law is designed to produce the tilt angle commands of orthogonal reaction sphere actuators.The proposed disturbance observer-based LQG considers process disturbances and measurement noises,and performs a trade-off search between control efforts and regulation performance.Numerical simulations are performed to evaluate the proposed strategies for an attitude stabilization scenario,and the results illustrate that the disturbances are effectively mitigated. 展开更多
关键词 STABILIZATION linearized CLUSTER
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SUPERCONVERGENCE ANALYSIS OF A BDF-GALERKIN FEM FOR THE NONLINEAR KLEIN-GORDON-SCHRODINGER EQUATIONS WITH DAMPING MECHANISM
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作者 Dongyang Shi Houchao Zhang 《Journal of Computational Mathematics》 SCIE CSCD 2023年第2期224-245,共22页
The focus of this paper is on a linearized backward differential formula(BDF)scheme with Galerkin FEM for the nonlinear Klein-Gordon-Schrödinger equations(KGSEs)with damping mechanism.Optimal error estimates and ... The focus of this paper is on a linearized backward differential formula(BDF)scheme with Galerkin FEM for the nonlinear Klein-Gordon-Schrödinger equations(KGSEs)with damping mechanism.Optimal error estimates and superconvergence results are proved without any time-step restriction condition for the proposed scheme.The proof consists of three ingredients.First,a temporal-spatial error splitting argument is employed to bound the numerical solution in certain strong norms.Second,optimal error estimates are derived through a novel splitting technique to deal with the time derivative and some sharp estimates to cope with the nonlinear terms.Third,by virtue of the relationship between the Ritz projection and the interpolation,as well as a so-called"lifting"technique,the superconvergence behavior of order O(h^(2)+τ^(2))in H^(1)-norm for the original variables are deduced.Finally,a numerical experiment is conducted to confirm our theoretical analysis.Here,h is the spatial subdivision parameter,andτis the time step. 展开更多
关键词 KGSEs with damping mechanism linearized BDF Galerkin FEM Optimal error estimates SUPERCONVERGENCE
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The convergence properties of infeasible inexact proximal alternating linearized minimization
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作者 Yukuan Hu Xin Liu 《Science China Mathematics》 SCIE CSCD 2023年第10期2385-2410,共26页
The proximal alternating linearized minimization(PALM)method suits well for solving blockstructured optimization problems,which are ubiquitous in real applications.In the cases where subproblems do not have closed-for... The proximal alternating linearized minimization(PALM)method suits well for solving blockstructured optimization problems,which are ubiquitous in real applications.In the cases where subproblems do not have closed-form solutions,e.g.,due to complex constraints,infeasible subsolvers are indispensable,giving rise to an infeasible inexact PALM(PALM-I).Numerous efforts have been devoted to analyzing the feasible PALM,while little attention has been paid to the PALM-I.The usage of the PALM-I thus lacks a theoretical guarantee.The essential difficulty of analysis consists in the objective value nonmonotonicity induced by the infeasibility.We study in the present work the convergence properties of the PALM-I.In particular,we construct a surrogate sequence to surmount the nonmonotonicity issue and devise an implementable inexact criterion.Based upon these,we manage to establish the stationarity of any accumulation point,and moreover,show the iterate convergence and the asymptotic convergence rates under the assumption of the Lojasiewicz property.The prominent advantages of the PALM-I on CPU time are illustrated via numerical experiments on problems arising from quantum physics and 3-dimensional anisotropic frictional contact. 展开更多
关键词 proximal alternating linearized minimization INFEASIBILITY nonmonotonicity surrogate sequence inexact criterion iterate convergence asymptotic convergence rate
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Conservative Three-Level Linearized Finite Difference Schemes for the Fisher Equation and Its Maximum Error Estimates
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作者 Guang-hua Gao Biao Ge Zhi-Zhong Sun 《Numerical Mathematics(Theory,Methods and Applications)》 SCIE CSCD 2023年第3期634-667,共34页
A three-level linearized difference scheme for solving the Fisher equation is firstly proposed in this work.It has the good property of discrete conservative energy.By the discrete energy analysis and mathematical ind... A three-level linearized difference scheme for solving the Fisher equation is firstly proposed in this work.It has the good property of discrete conservative energy.By the discrete energy analysis and mathematical induction method,it is proved to be uniquely solvable and unconditionally convergent with the secondorder accuracy in both time and space.Then another three-level linearized compact difference scheme is derived along with its discrete energy conservation law,unique solvability and unconditional convergence of order two in time and four in space.The resultant schemes preserve the maximum bound principle.The analysis techniques for convergence used in this paper also work for the Euler scheme,the Crank-Nicolson scheme and others.Numerical experiments are carried out to verify the computational efficiency,conservative law and the maximum bound principle of the proposed difference schemes. 展开更多
关键词 Fisher equation linearized difference scheme SOLVABILITY convergence CONSERVATION
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Linearized microwave downconversion link based on fast and intelligent impairment equalization for noncooperative systems
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作者 陈智宇 钟欣 +4 位作者 蒋林 徐嘉鑫 刘静娴 盘艳 周涛 《Chinese Optics Letters》 SCIE EI CAS CSCD 2023年第2期143-147,共5页
We experimentally demonstrated the use of intelligent impairment equalization(IIE)for microwave downconversion link linearization in noncooperative systems.Such an equalizer is realized based on an artificial neural n... We experimentally demonstrated the use of intelligent impairment equalization(IIE)for microwave downconversion link linearization in noncooperative systems.Such an equalizer is realized based on an artificial neural network(ANN).Once the training process is completed,the inverse link transfer function can be determined.With the inverse transformation for the detected signal after transmission,the third-order intermodulation distortion components are suppressed significantly without requiring any prior information from an input RF signal.Furthermore,fast training speed is achieved,since the configuration of ANN-based equalizer is simple.Experimental results show that the spurious-free dynamic range of the proposed link is improved to 106.5 dB·Hz^(2/3),which is 11.3 dB higher than that of a link without IIE.Meanwhile,the training epochs reduce to only five,which has the potential to meet the practical engineering requirement. 展开更多
关键词 microwave photonics linearized downconversion link intelligent impairment equalization artificial neural network
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Electronic and magnetic properties of Cd-doped zigzag AlN nanoribbons from first principles 被引量:1
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作者 Razieh Beiranvand 《Rare Metals》 SCIE EI CAS CSCD 2016年第10期771-778,共8页
The effect of Cd impurity on the electronic structure and magnetic properties of hydrogen-terminated AlN nanoribbons with zigzag edges (ZAINNRs) was in- vestigate using the band structure results obtained through th... The effect of Cd impurity on the electronic structure and magnetic properties of hydrogen-terminated AlN nanoribbons with zigzag edges (ZAINNRs) was in- vestigate using the band structure results obtained through the full potential linearized augmented plane wave (FP- LAPW) method within the density functional theory (DFT). The exchange correlation potential was treated by the generalized gradient approximation within the Perdew scheme. The calculated results show that the H-terminated zigzag AlN nanoribbon is semiconducting and nonmag- netic material with a direct band gap of about 2.78 eV, while the Cd-doped H-terminated ZAlNNR structures show complete (100 %) spin polarization very close to the Fermi level, which will result in spin-anisotropic transport. The charge transport is totally dominated by Cd spin down electrons in the H-terminated ZAlNNR. These results suggest potential applications for the development of using the A1N nanoribbons in nanoelectronics and magnetoelec-tronic devices as a base. 展开更多
关键词 Electronic properties Zigzag AlN nanoribbon Magnetic properties Density functionaltheory Full potential linearized augmented plane wave
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Effect of local atomic disorder on the half-metallicity of full-Heusler Co_2FeSi alloy:a first-principles study 被引量:1
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作者 李冠男 金迎九 李在一 《Chinese Physics B》 SCIE EI CAS CSCD 2010年第9期485-491,共7页
This paper investigates the effect of atomic disorder on the electronic structure, magnetism, and half-metallicity of full-Heusler Co2FeSi alloy by using the full-potential linearized augmented plane wave method withi... This paper investigates the effect of atomic disorder on the electronic structure, magnetism, and half-metallicity of full-Heusler Co2FeSi alloy by using the full-potential linearized augmented plane wave method within the generalized gradient approximation (GGA) and GGA-kU schemes. It considers three types of atomic disorders in Co2FeSi alloy: the Co-Fe, Co-Si, and Fe-Si disorders. Total energy calculations show that of the three types of disorders, the Fe-Si disorder is more likely to occur. It finds that for the Co Si disorder, additional states appear in the minority band-gap at the EF and the half-metallcity is substantially destroyed, regardless of the disorder level. On the other hand, the Co-Fe and Fe-Si disorders have little effect on the half-metallicity at a low disorder level. When increasing the disorder levels, the half-metallcity is destroyed at about 9 % of the Co-Fe disorder level, while that stays at 25 % of the Fe-Si disorder level. 展开更多
关键词 HALF-METALLICITY full-Heusler alloy electronic structure full-potential linearized augmented plane wave method
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