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Level-shifted embedded cluster method may offer a viable alternative for the simulation of metal oxides
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作者 Zi-Jian Zhou Xin-Ping Wu 《Chinese Journal of Structural Chemistry》 2025年第5期1-2,共2页
The use of metal oxides has been extensively documented in the literature and applied in a variety of contexts,including but not limited to energy storage,chemical sensors,and biomedical applications.One of the most s... The use of metal oxides has been extensively documented in the literature and applied in a variety of contexts,including but not limited to energy storage,chemical sensors,and biomedical applications.One of the most significant applications of metal oxides is heterogeneous catalysis,which represents a pivotal technology in industrial production on a global scale.Catalysts serve as the primary enabling agents for chemical reactions,and among the plethora of catalysts,metal oxides including magnesium oxide(MgO),ceria(CeO_(2))and titania(TiO_(2)),have been identified to be particularly effective in catalyzing a variety of reactions[1].Theoretical calculations based on density functional theory(DFT)and a multitude of other quantum chemistry methods have proven invaluable in elucidating the mechanisms of metal-oxide-catalyzed reactions,thereby facilitating the design of high-performance catalysts[2]. 展开更多
关键词 chemical reactionsand industrial production heterogeneous catalysiswhich metal oxides energy storagechemical biomedical applicationsone level shifted embedded cluster method catalystsmetal oxides
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Real-time embedded software testing method based on extended finite state machine 被引量:6
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作者 Yongfeng Yin Bin Liu Hongying Ni 《Journal of Systems Engineering and Electronics》 SCIE EI CSCD 2012年第2期276-285,共10页
The reliability of real-time embedded software directly determines the reliability of the whole real-time embedded sys- tem, and the effective software testing is an important way to ensure software quality and reliab... The reliability of real-time embedded software directly determines the reliability of the whole real-time embedded sys- tem, and the effective software testing is an important way to ensure software quality and reliability. Based on the analysis of the characteristics of real-time embedded software, the formal method is introduced into the real-time embedded software testing field and the real-time extended finite state machine (RT-EFSM) model is studied firstly. Then, the time zone division method of real-time embedded system is presented and the definition and description methods of time-constrained transition equivalence class (timeCTEC) are presented. Furthermore, the approaches of the testing sequence and test case generation are put forward. Finally, the proposed method is applied to a typical avionics real- time embedded software testing practice and the examples of the timeCTEC, testing sequences and test cases are given. With the analysis of the testing result, the application verification shows that the proposed method can effectively describe the real-time embedded software state transition characteristics and real-time requirements and play the advantages of the formal methods in accuracy, effectiveness and the automation supporting. Combined with the testing platform, the real-time, closed loop and automated simulation testing for real-time embedded software can be realized effectively. 展开更多
关键词 real-time system real-time embedded software for- mal method extended finite state machine (EFSM) testing se- quence test case.
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FORMATION ENTHALPIES FOR FCC METAL BASED BINARY ALLOYS BY EMBEDDED ATOM METHOD 被引量:2
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作者 Yifang, Ouyang Bangwei, Zhang +2 位作者 Shuzhi, Liao Zhanpeng, Jin Hongmei, Chen 《中国有色金属学会会刊:英文版》 EI CSCD 1998年第1期61-64,共4页
FORMATIONENTHALPIESFORFCCMETALBASEDBINARYALLOYSBYEMBEDDEDATOMMETHOD①OuyangYifang1,ZhangBangwei2,3,LiaoShuzhi... FORMATIONENTHALPIESFORFCCMETALBASEDBINARYALLOYSBYEMBEDDEDATOMMETHOD①OuyangYifang1,ZhangBangwei2,3,LiaoShuzhi4,JinZhanpeng5and... 展开更多
关键词 FORMATION enthalpy BINARY alloy embedded ATOM method
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High-pressure phonon dispersion of copper by using the modified analytic embedded atom method 被引量:2
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作者 张晓军 陈长乐 凤飞龙 《Chinese Physics B》 SCIE EI CAS CSCD 2013年第9期520-524,共5页
By using the Born-von Kfirmfin theory of lattice dynamics and the modified analytic embedded atom method, we reproduce the experimental results of the phonon dispersion in fcc metal Cu at zero pressure along three hig... By using the Born-von Kfirmfin theory of lattice dynamics and the modified analytic embedded atom method, we reproduce the experimental results of the phonon dispersion in fcc metal Cu at zero pressure along three high symmetry directions and four oft-symmetry directions, and then simulate the phonon dispersion curves of Cu at high pressures of 50, 100, and 150 GPa. The results show that the shapes of dispersion curves at high pressures are very similar to that at zero pressure. All the vibration frequencies of Cu in all vibration branches at high pressures are larger than the results at zero pressure, and increase correspondingly as pressure reaches 50, 100, and 150 GPa sequentially. Moreover, on the basis of phonon dispersion, we calculate the values of specific heat of Cu at different pressures. The prediction of thermodynamic quantities lays a significant foundation for guiding and judging experiments of thermodynamic properties of solids under high pressures. 展开更多
关键词 phonon dispersion high pressure SIMULATION modified analytic embedded atom method
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AN EMBEDDED BOUNDARY METHOD FOR ELLIPTIC AND PARABOLIC PROBLEMS WITH INTERFACES AND APPLICATION TO MULTI-MATERIAL SYSTEMS WITH PHASE TRANSITIONS 被引量:1
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作者 Shuqiang Wang Roman Samulyak Tongfei Guo 《Acta Mathematica Scientia》 SCIE CSCD 2010年第2期499-521,共23页
The embedded boundary method for solving elliptic and parabolic problems in geometrically complex domains using Cartesian meshes by Johansen and Colella (1998, J. Comput. Phys. 147, 60) has been extended for ellipti... The embedded boundary method for solving elliptic and parabolic problems in geometrically complex domains using Cartesian meshes by Johansen and Colella (1998, J. Comput. Phys. 147, 60) has been extended for elliptic and parabolic problems with interior boundaries or interfaces of discontinuities of material properties or solutions. Second order accuracy is achieved in space and time for both stationary and moving interface problems. The method is conservative for elliptic and parabolic problems with fixed interfaces. Based on this method, a front tracking algorithm for the Stefan problem has been developed. The accuracy of the method is measured through comparison with exact solution to a two-dimensional Stefan problem. The algorithm has been used for the study of melting and solidification problems. 展开更多
关键词 embedded boundary method elliptic interface problem front tracking Ste-fan problem
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A New Method of Embedded Fourth Order with Four Stages to Study Raster CNN Simulation 被引量:2
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作者 R. Ponalagusamy S. Senthilkumar 《International Journal of Automation and computing》 EI 2009年第3期285-294,共10页
A new Runge-Kutta (PK) fourth order with four stages embedded method with error control is presentea m this paper for raster simulation in cellular neural network (CNN) environment. Through versatile algorithm, si... A new Runge-Kutta (PK) fourth order with four stages embedded method with error control is presentea m this paper for raster simulation in cellular neural network (CNN) environment. Through versatile algorithm, single layer/raster CNN array is implemented by incorporating the proposed technique. Simulation results have been obtained, and comparison has also been carried out to show the efficiency of the proposed numerical integration algorithm. The analytic expressions for local truncation error and global truncation error are derived. It is seen that the RK-embedded root mean square outperforms the RK-embedded Heronian mean and RK-embedded harmonic mean. 展开更多
关键词 Raster scheme cellular neural network (CNN) numerical integration techniques edge detection new embedded RungeKutta root mean square (RKARMS (4 4)) method truncation errors.
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Chen’s lattice inversion embedded-atom method for Ni-Al alloy 被引量:1
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作者 张川晖 黄烁 +1 位作者 申江 陈难先 《Chinese Physics B》 SCIE EI CAS CSCD 2012年第11期172-178,共7页
The structural properties, the enthalpies of formation, and the mechanical properties of some Ni-Al intermetallic compounds (NiAl, Ni3Al, NiAl3, Ni5Al3, Ni3Al4) are studied by using Chen's lattice inversion embedde... The structural properties, the enthalpies of formation, and the mechanical properties of some Ni-Al intermetallic compounds (NiAl, Ni3Al, NiAl3, Ni5Al3, Ni3Al4) are studied by using Chen's lattice inversion embedded-atom method (CLI-EAM). Our calculated lattice parameters and cohesive energies of Ni-A1 compounds are consistent with the experimental and the other EAM results. The results of enthalpy of formation indicate a strong chemical interaction between Ni and Al in the intermetallic compounds. Through analyzing the alloy elastic constants, we find that all the Ni-Al intermetallic compounds discussed are mechanically stable. The bulk moduli of the compounds increase with the increasing Ni concentration. Our results also suggest that NiAl, Ni3Al, NiAl3, and Ni5Al3 are ductile materials with lower ratios of shear modulus to bulk modulus; while Ni3Al4 is brittle with a higher ratio. 展开更多
关键词 embedded-atom method lattice inversion NiAl alloy mechanical property
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Structural defects in L1_0 FePt by modified analytic embedded-atom method 被引量:1
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作者 舒小林 陈强 +1 位作者 陈子瑜 胡望宇 《中国有色金属学会会刊:英文版》 CSCD 2006年第A03期2034-2037,共4页
The structural defects of L10 FePt are investigated by the molecular dynamics (MD) with a modified analytic embedded-atom method (MAEAM). The L10 ordered structure of FePt is relaxed from a trial fcc structure. The de... The structural defects of L10 FePt are investigated by the molecular dynamics (MD) with a modified analytic embedded-atom method (MAEAM). The L10 ordered structure of FePt is relaxed from a trial fcc structure. The defect formation energies are calculated. The vacancy formation energies of Fe and Pt are 1.89 eV and 2.11 eV respectively. The antisite formation energy of Fe in Pt sublattice is 0.35 eV. The antisite formation energy of Pt in Fe sublattice is 0.09 eV. The tendency of the vacancy formation energy is in agreement with other calculation. The point defect structure types are Pt antisite in rich-Pt side and Fe antisite in rich-Fe side. 展开更多
关键词 金属化合物 分子动力学 合金 微观结构 晶体结构
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Seismic analysis of cantilever earth retaining walls embedded in dry sand by simplified approaches and finite element method
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作者 FERRO Edgar OSS Andrea SIMEONI Lucia 《岩土力学》 EI CAS CSCD 北大核心 2022年第6期1617-1634,共18页
In engineering practice simplified methods are essential to the seismic design of embedded earth retaining walls,as fullydynamic numerical analyses are costly,time-consuming and require specific expertise.Recently dev... In engineering practice simplified methods are essential to the seismic design of embedded earth retaining walls,as fullydynamic numerical analyses are costly,time-consuming and require specific expertise.Recently developed pseudostatic methods provide earth stresses and internal forces,even in those cases in which the strength of the soil surrounding the structure is not entirely mobilised.Semiempirical correlations or Newmark sliding block method provide an estimate of earthquake-induced permanent displacements.However,the use of these methods is hindered by uncertainties in the evaluation of a few input parameters,affecting the reliability of the methods.This study uses 1 D site response analyses and 2 D fully-dynamic finite element analyses to show that simplified methods can provide a reasonable estimate of the maximum bending moment and permanent displacements for stiff cantilever walls embedded in uniform sand,providing that a few input parameters are evaluated through semiempirical correlations and a simple 1 D site response analysis. 展开更多
关键词 embedded retaining wall seismic design finite elements pseudostatic methods NEWMARK permanent displacement
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The ternary Ni–Al–Co embedded-atom-method potential for γ/γ Ni-based single-crystal superalloys: Construction and application 被引量:1
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作者 杜俊平 王崇愚 于涛 《Chinese Physics B》 SCIE EI CAS CSCD 2014年第3期224-231,共8页
An Ni-AI-Co system embedded-atom-method potential is constructed for the γ(Ni)/γ'(Ni3A1) superalloy based on experiments and first-principles calculations. The stacking fault energies (SFEs) of the Ni(Co, A1... An Ni-AI-Co system embedded-atom-method potential is constructed for the γ(Ni)/γ'(Ni3A1) superalloy based on experiments and first-principles calculations. The stacking fault energies (SFEs) of the Ni(Co, A1) random solid solutions are calculated as a function of the concentrations of Co and A1. The calculated SFEs decrease with increasing concentrations of Co and A1, which is consistent with the experimental results. The embedding energy term in the present potential has an important influence on the SFEs of the random solid solutions. The cross-slip processes of a screw dislocation in homogenous Ni(Co) solid solutions are simulated using the present potential and the nudged elastic band method. The cross-slip activation energies increase with increasing Co concentration, which implies that the creep resistance of γ(Ni) may be improved by the addition of Co. 展开更多
关键词 interatomic interaction potential embedded-atom method Ni-based single-crystal superalloys
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A Decision Support Framework for the Choice of Languages and Methods for the Design of Real Time Embedded Systems
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作者 Valéry M. Monthe Laurent Nana +1 位作者 Georges E. Kouamou Claude Tangha 《Journal of Software Engineering and Applications》 2016年第7期353-397,共45页
The choice of methods or design languages is a crucial phase in the development of systems and software, also for real time and embedded systems. An open question that remains in the design of these types of systems i... The choice of methods or design languages is a crucial phase in the development of systems and software, also for real time and embedded systems. An open question that remains in the design of these types of systems is to build a method, or to choose one among those existing, capable to cover the life cycle of a project, and particularly the development phases. This article contributes to answer the question, by proposing an approach based on a multi-criteria comparative study, of few languages and methods dedicated to the design of real time and embedded systems. The underlying objective of this work is to present to designers a wide range of approaches, and elements that can guide their choices. In order to reach this goal, we propose different comparison criteria. Each criterion is divided into sub-criteria, so that the designers can refine their choices according to the qualities they prefer and wish to have in the method or language. We also define a rating scale which is used to assess the retained languages and methods. The scores obtained from this assessment are presented in tables, one table per criterion, followed by a summary table giving the overall scores. Graphics built from these tables are provided and intend to facilitate the judgement and thus the choice of the designers. 展开更多
关键词 Design method Modelling Language Real-Time System embedded System Comparison Criteria
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Construction of embedded-atom-method interatomic potentials for alkaline metals (Li,Na,and K) by lattice inversion
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作者 袁晓俭 陈难先 申江 《Chinese Physics B》 SCIE EI CAS CSCD 2012年第5期167-178,共12页
The lattice-inversion embedded-atom-method interatomic potential developed previously by us is extended to alkaline metals including Li,Na,and K.It is found that considering interatomic interactions between neighborin... The lattice-inversion embedded-atom-method interatomic potential developed previously by us is extended to alkaline metals including Li,Na,and K.It is found that considering interatomic interactions between neighboring atoms of an appropriate distance is a matter of great significance in constructing accurate embedded-atom-method interatomic potentials,especially for the prediction of surface energy.The lattice-inversion embedded-atom-method interatomic potentials for Li,Na,and K are successfully constructed by taking the fourth-neighbor atoms into consideration.These angular-independent potentials markedly promote the accuracy of predicted surface energies,which agree well with experimental results.In addition,the predicted structural stability,elastic constants,formation and migration energies of vacancy,and activation energy of vacancy diffusion are in good agreement with available experimental data and first-principles calculations,and the equilibrium condition is satisfied. 展开更多
关键词 interatomic potential embedded-atom method Chen-Mobius lattice inversion alkaline metal
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Simulation of He Behavior in Metals With Embedded Atom Method
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作者 Yue, Yna Pan, Zhengying 《Chinese journal of nuclear physics》 EI 1997年第1期39-43,共5页
The embedded-atom method(EAM)is used to study the behavior of helium in meta-ls.By fitting the measured parameters such as the activation energy and the heat of solution,the EAM potentials of helium in nickel are extr... The embedded-atom method(EAM)is used to study the behavior of helium in meta-ls.By fitting the measured parameters such as the activation energy and the heat of solution,the EAM potentials of helium in nickel are extracted.Based upon the EAM potentials,thebinding energy and the self-trapping of helium in nickel are investigated with molecular dynam-ics simulation. 展开更多
关键词 embedded-atom method HELIUM SELF-TRAPPING MOLECULAR DYNAMICS SIMULATION
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基于XP Embedded的嵌入式数字测厚仪设计与实现 被引量:3
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作者 秦清 李强 《计算机工程与设计》 CSCD 北大核心 2006年第1期149-151,168,共4页
如何提高开发效率、降低成本已经成为当前嵌入式系统开发方法研究中的热点。针对嵌入式数字测厚仪的研制要求,设计了基于普通PC机硬件平台、采用WindowsXPEmbedded进行嵌入式软件开发的技术路线。根据阳极溶解库仑法的原理,用PC机和自... 如何提高开发效率、降低成本已经成为当前嵌入式系统开发方法研究中的热点。针对嵌入式数字测厚仪的研制要求,设计了基于普通PC机硬件平台、采用WindowsXPEmbedded进行嵌入式软件开发的技术路线。根据阳极溶解库仑法的原理,用PC机和自研的测厚采集卡实现了金属镀层厚度的测量、分析与数据存贮、打印等功能。实际开发和应用表明,这是一种高效、低成本的研发方法,此方法适用于类似的数字化仪器的开发研制。 展开更多
关键词 WINDOWS XP embedded 嵌入式系统 运行时映像 镀层测厚 阳极溶解库仑法
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基于Qt/Embedded技术的中文输入法设计 被引量:3
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作者 叶娜娜 邓飞其 余红明 《自动化技术与应用》 2009年第8期26-27,32,共3页
本文分析归纳了手持设备中文输入法的现状,阐明了为成本低、周期短的项目开发一种中文输入法的必要性,实现了一种基于Qt/Embedded技术的,具备可移植性、可扩展性的中文输入法。
关键词 QT/embedded 中文输入法 嵌入式系统
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Study on embedded length of piles for slope reinforced with one row of piles 被引量:6
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作者 Shikou Yang, Xuhua Ren, Jixun Zhang College of Water Conservancy and Hydropower Engineering, Hohai University, Nanjing, 210098, China 《Journal of Rock Mechanics and Geotechnical Engineering》 SCIE 2011年第2期167-178,共12页
The embedded length of anti-slide piles for slope is analyzed by three-dimensional elastoplastic shear strength reduction method. The effect of embedded pile length on the factor of safety and pile behavior is analyze... The embedded length of anti-slide piles for slope is analyzed by three-dimensional elastoplastic shear strength reduction method. The effect of embedded pile length on the factor of safety and pile behavior is analyzed. Furthermore, the effects of pile spacing, pile head conditions, pile bending stiffness and soil properties on length and behavior of pile are also analyzed. The results show that the pile spacing and the pile head conditions have significant influences on the critical embedded length of pile. It is found that the critical embedded length of pile, beyond which the factor of safety does not increase, increases with the decrease in pile spacing. The smaller the pile spacing is, the larger the integrity of the reinforced slope will be. A theoretical analysis of the slip surface is also conducted, and the slip surface determined by the pressure on piles, considering the influences of both soil and piles for slope, is in agreement with the ones in previous studies. 展开更多
关键词 slope stability factor of safety embedded pile length strength reduction method slip surface
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Simple analytic embedded atom potentials for HCP metals 被引量:2
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作者 Ouyang Yifang(欧阳义芳) Zhang Bangwei(张邦维) +1 位作者 Liao Shuzhi(廖树帜) Jin Zhanpeng(金展鹏) 《中国有色金属学会会刊:英文版》 EI CSCD 1999年第3期586-592,共7页
A new simple analytic embedded atom model including a modified term, which has previously been successfully applied to the atoms in the FCC and BCC crystal systems, is now extended to the HCP structure. The model para... A new simple analytic embedded atom model including a modified term, which has previously been successfully applied to the atoms in the FCC and BCC crystal systems, is now extended to the HCP structure. The model parameters are determined for HCP transition metals Co, Hf, Re, Ru, Sc, Ti, Y and Zr with ideal c/a ratios. The model is fitted to the lattice constants, cohesive energy, vacancy formation energy, elastic constants and is able to reproduce the experimental data quite well. The structure stability of real HCP, BCC and simple cubic is discussed, the formation energy of divacancy in the base plane and in different planes are also calculated, and the divacancy is found to be not bound. 展开更多
关键词 embedded ATOM method VACANCIES formation energy structural stability
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Nonlinear vibration of embedded single-walled carbon nanotube with geometrical imperfection under harmonic load based on nonlocal Timoshenko beam theory 被引量:1
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作者 王博 邓子辰 张凯 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI 2013年第3期269-280,共12页
Based on the nonlocal continuum theory, the nonlinear vibration of an embedded single-walled carbon nanotube (SWCNT) subjected to a harmonic load is in- vestigated. In the present study, the SWCNT is assumed to be a... Based on the nonlocal continuum theory, the nonlinear vibration of an embedded single-walled carbon nanotube (SWCNT) subjected to a harmonic load is in- vestigated. In the present study, the SWCNT is assumed to be a curved beam, which is unlike previous similar work. Firstly, the governing equations of motion are derived by the Hamilton principle, meanwhile, the Galerkin approach is carried out to convert the nonlinear integral-differential equation into a second-order nonlinear ordinary differ- ential equation. Then, the precise integration method based on the local linearzation is appropriately designed for solving the above dynamic equations. Besides, the numerical example is presented, the effects of the nonlocal parameters, the elastic medium constants, the waviness ratios, and the material lengths on the dynamic response are analyzed. The results show that the above mentioned effects have influences on the dynamic behavior of the SWCNT. 展开更多
关键词 embedded curved carbon nanotube nonlocal Timoshenko beam theory nonlinear vibration harmonic load precise integrator method
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An IPC-based Prolog design pattern for integrating backward chaining inference into applications or embedded systems 被引量:2
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作者 Li Guoqi Shao Yuanxun +1 位作者 Hong Sheng Liu Bin 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2014年第6期1571-1577,共7页
Prolog is one of the most important candidates to build expert systems and AI-related programs and has potential applications in embedded systems. However, Prolog is not suitable to develop many kinds of components, s... Prolog is one of the most important candidates to build expert systems and AI-related programs and has potential applications in embedded systems. However, Prolog is not suitable to develop many kinds of components, such as data acquisition and task scheduling, which are also crucial. To make the best use of the advantages and bypass the disadvantages, it is attractive to integrate Prolog with programs developed by other languages. In this paper, an IPC-based method is used to integrate backward chaining inference implemented by Prolog into applications or embedded systems. A Prolog design pattern is derived from the method for reuse, whose principle and definition are provided in detail. Additionally, the design pattern is applied to a target system, which is free software, to verify its feasibility. The detailed implementation of the application is given to clarify the design pattern. The design pattern can be further applied to wide range applications and embedded systems and the method described in this paper can also be adopted for other logic programming languages. 展开更多
关键词 Backward chaining inference Design method embedded systems Inference engines Inter-process communication Prolog
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The Embedding Method for Nonsmooth Equations
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作者 张建军 王德人 《Advances in Manufacturing》 SCIE CAS 1997年第3期184-190,共7页
In this paper. we present a class of' embedding methods for nonsmooth equations. Under suitable conditions, we Prove that there exists a homotopy solution curve, which is Unique and continuous. We also prove that ... In this paper. we present a class of' embedding methods for nonsmooth equations. Under suitable conditions, we Prove that there exists a homotopy solution curve, which is Unique and continuous. We also prove that the solution curve is singlcvalue-d with respect to the homotopy parameter. Then we construct all efficient algorithm for this class of equations and prove its convcrgcnce. Filially, we apply the algorithm to the nonlinear complementarity problem. The numerical results show that tile algorithm is satisfacotry. 展开更多
关键词 nonsmooth equations embedding method nonlinear complementarity problem Newton method
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