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The geometrical structure, electronic structure and magnetism of bimetallic Au_nM_2.(n=1, 2. M=Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd) clusters

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Science china(Physics,Mechanics & Astronomy) 2009年第7期52卷 1011-1020页

作者： GU Juan1,2. WANG ShanYing2.& GOU BingCong1 1 department of Physics, beijing {2. of Technology, beijing 100081, china 2.department of Physics, tsinghua university, beijing 100084, china department of Physics Beijing Institute of Technology Beijing China department of Physics Tsinghua University Beijing China

The geometrical structure, stability, magnetism, and electronic structure of bimetallic clusters AuM2.and Au2.2. where M are 4d transition metal elements, are investigated systematically by using the first-principles method based on density functional theory. The calculation results show that there is a large amount of low-energy isomers with the very similar structure. AuM2.and Au2.2.clusters display dramatic magnetism. The magnetic moment of the 4d element is either enhanced or weakened with respect to the bulk value, which is largely dependent on the orbital exchange-splitting.

关键词： density functional theory first-principles cluster electronic structure magnetism

Calculation of light emission in sonoluminescence

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Science china(Physics,Mechanics & Astronomy) 2009年第4期52卷 593-601页

作者： LI ChaoHui1 & AN Yu1,2.1 department of Physics,tsinghua university,{2.,china 2.institute of Acoustics,Chinese Academy of Sciences,beijing 100190,china department of Physics Tsinghua University Beijing China institute of Acoustics Chinese Academy of Sciences Beijing China

We modify a uniform model of single bubble sonoluminescence,in which heat diffusion,water vapor diffusion and chemical reactions are included to describe the bubble dynamics,and the processes of electron-atom bremsstrahlung,electron-ion bremsstrahlung and recombination radiation,radiative attachment of electrons to atoms and molecules,line emissions of OH radicals and Na atoms are taken into account to calculate the light emission. With this model,we compute the light pulse width,the photon number per flash,the continuum and line spectra and the gas species as the products of chemical reactions,and try to compare with all the experimental data available. We obtain good agreement with the observations of Ar and Xe bubbles in many cases,but fail to match the experimental data of the photon number per flash. We also find that for He bubble the computed photon number is always too small to interpret the observations.

关键词： sonoluminescence bremsstrahlung radiative attachment line spectrum collision broadening

Solving the input data in error correc-tion of optical fabrication by finite Fourier coefficient algorithm

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Science china(Technological Sciences) 2006年第1期49卷 50-60页

作者： CHENG Haobo1,2. SUN Guozheng3 & FENG Zhijing2.1. department of Optical Engineering, beijing {2. of Technology, beijing 100081, china 2. department of Precision Instruments and Mechanology, tsinghua university, beijing 100084, china 3. china North Industries Group Corporation, beijing 100089, china department of Optical Engineering Beijing Institute of Technology Beijing China department of Precision Instruments and Mechanology Tsinghua University Beijing China china North Industries Group Corporation Beijing China

A free-form lens (FFL) is a special surface that is difficult to be fabricated. FFL are usually fabricated by computer-controlled optical surfacing (CCOS) technique. During CCOS, the material removal amount is determined by the unit removal function (URF) convoluting with the input data――the dwell time. When the removal amount and the URF are known, how to solve the input data involves the special algorithm――deconvolution. Usually, the input data are solved by virtue of low pass filter or iterative methods. However, an approximation solution would destroy the machining stability nec-essary to perform precisely CCOS. In this paper, to solve the input data, a new method that is based on the finite Fourier coefficient is put forward. It can give a continuous and accurate solution for fabricating choice. Several parameters are simulated, which influ-ence the process of CCOS, and evaluating on the effect of the method is also carried out. Experimental results verify that this method is suitable for guiding the manufacturing of high precision FFL.

关键词： optical fabrication, computer controlled optical surfacing, free-form lens, finite Fourier coefficient, error correction.

Gas kinetic algorithm for flows in Poiseuille-like microchannels using Boltzmann model equation

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Science china(Physics,Mechanics & Astronomy) 2005年第4期48卷 496-512页

作者： LI Zhihui1,2. ZHANG Hanxin1 & FU Song2.⒈ National Laboratory for CFD, Hypervelocity Aerodynamics institute,china Aerodynamics Research and Development Center,Mianyang 62.000,china 2.department of Engineering Mechanics,tsinghua university,beijing 100084,china National Laboratory for CFD Hypervelocity Aerodynamics Institute China Aerodynamics Research and Development Center Mianyang China department of Engineering Mechanics Tsinghua University Beijing China

The gas-kinetic unified algorithm using Boltzmann model equation have been extended and developed to solve the micro-scale gas flows in Poiseuille-like micro-channels from Micro-Electro-Mechanical Systems (MEMS). The numerical modeling of the gas kinetic boundary conditions suitable for micro-scale gas flows is presented. To test the present method, the classical Couette flows with various Knudsen numbers, the gas flows from short microchannels like plane Poiseuille and the pressure-driven gas flows in two-dimensional short microchannels have been simulated and compared with the approximate solutions of the Boltzmann equation, the related DSMC results, the modified N-S solutions with slip-flow boundary theory, the gas-kinetic BGK-Burnett solutions and the experimental data. The comparisons show that the present gas-kinetic numerical algorithm using the mesoscopic Boltzmann simplified velocity distribution function equation can effectively simulate and reveal the gas flows in microchannels. The numerical experience indicates that this method may be a powerful tool in the numerical simulation of micro-scale gas flows from MEMS.

关键词： Boltzmann model equation, discrete velocity ordinate method, finite-difference scheme, Couette flow, Poiseuille flow, gas flow in short-microchannel.

Fault prediction model based on evidential reasoning approach

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Science china(Information Sciences) 2010年第10期53卷 2032-2046页

作者： SI XiaoSheng 1,2., HU ChangHua 1 & ZHOU ZhiJie 1,2.1 Unit 302. Xi’an institute of Hi-Tech, Shaanxi, Xi’an 71002., china 2.{2. of Automation, tsinghua university, beijing 100084, china Unit 302 Xi’an Institute of Hi-Tech Shaanxi Xi’an China department of Automation Tsinghua University Beijing China

In order to deal with fault prediction problems that involve both quantitative and qualitative in-formation for nonlinear complex system, a new fault prediction model is established based on the evidential reasoning (ER) approach, and an optimal learning algorithm for training ER-based prediction model is pre-sented based on the mean square error (MSE) criterion. This prediction model inherits the advantages of ER approach, which can deal with precise data, incomplete data and fuzzy data with nonlinear characteristic. In this model, the input signals transformed using rule based information transformation technique, are aggregated by analytical ER approach, and then the outputs of prediction model are constructed according to the types of system outputs. In addition, two fault decision criteria are defined to conduct fault identification. To overcome the difficulty in determining model parameters accurately and subjectively, a nonlinear optimization model is constructed and the optimal parameters are obtained. Two experimental studies are conducted to evaluate the performance of the proposed model. The results show that the established prediction model and the presented parameters optimization methods can deal with fault prediction problem effectively.

关键词： fault prediction evidential reasoning belief distribution nonlinear optimization

Real-time reliability prediction for dynamic systems with both deteriorating and unreliable components

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Science in china(Series F) 2009年第11期52卷 2234-2246页

作者： XU ZhengGuo1,2. JI YinDong2.3 & ZHOU DongHua1,2. 1 department of Automation, tsinghua university, {2., china 2.tsinghua National Laboratory for Information Science and Technology, tsinghua university, {2., china 3 Research institute of Information Technology (RIIT), tsinghua university, {2., china department of Automation Tsinghua University Beijing China tsinghua National Laboratory for Information Science and Technology Tsinghua University Beijing China Research institute of Information Technology (RIIT) Tsinghua University Beijing China

As an important technology for predictive maintenance, failure prognosis has attracted more and more attentions in recent years. Real-time reliability prediction is one effective solution to failure prognosis. Considering a dynamic system that is composed of normal, deteriorating and unreliable components, this paper proposes an integrated approach to perform real-time reliability prediction for such a class of systems. For a deteriorating component, the degradation is modeled by a time-varying fault process which is a linear or approximately linear function of time. The behavior of an unreliable component is described by a random variable which has two possible values corresponding to the operating and malfunction conditions of this component. The whole proposed approach contains three algorithms. A modified interacting multiple model particle filter is adopted to estimate the dynamic system＇s state variables and the unmeasurable time-varying fault. An exponential smoothing algorithm named the Holt＇s method is used to predict the fault process. In the end, the system＇s reliability is predicted in real time by use of the Monte Carlo strategy. The proposed approach can effectively predict the impending failure of a dynamic system, which is verified by computer simulations based on a three-vessel water tank system.

关键词： reliability failure prognostics dynamic systems fault prediction particle filtering interacting multiple model exponential smoothing,predictive maintenance

Analysis on ignition and extinction of n-heptane in homogeneous systems

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Science china(Technological Sciences) 2005年第5期48卷 556-569页

作者： LIU Yongfeng1 & PEI Pucheng2.1. Mechanical and Electrical Engineering department, beijing {2. of Civil Engineering and Architec-ture, beijing 100044, china 2. State Key Laboratory of Automotive Safety and Energy, tsinghua university, beijing 100084, china Mechanical and Electrical Engineering department Beijing Institute of Civil Engineering and Architecture Beijing China State Key Laboratory of Automotive Safety and Energy Tsinghua University Beijing China

To calculate ignition delay times, the governing equations about species and temperature, which are in a closed volume based on the theory of thermal explosion and in a continuously stirred flow reactor, are deducted. The method referred to steady state assumptions is based on the observation that due to very fast chemical processes in combustion problems many chemical species and reactions are in a quasi-steady state or partial equilibrium. When a species is assumed to be in the steady state, the corresponding differential equation can be replaced by an algebraic relation, which reduces the computational costs. The steady state solution of the reactor equations describes the three ignition temperature regimes and get “S-shaped curve”. The reduced simplified 4-step mechanism for n-heptane from 1011 elementary reactions leads with the steady state assumptions to linear differential equations, which is solved. The simulation results of the 4-step reduced mechanism for n-heptane are fitted well with the experiment data. At last, two important parameters are discussed thoroughly and the temperature perturbation is given. It reduces the computational efforts considerably without losing too much accuracy and further supplies numerical methods for turbulent combustion in the diesel engine.

关键词： ignition delay times, thermal runaway, steady state assumptions, continuously stirred flow reactor.

Study on an intelligent fault-tolerant technique for multiple satellite configured navigation under highly dynamic conditions

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Science china(Information Sciences) 2011年第3期54卷 529-541页

作者： WANG ShiCheng 1 , ZHAO Xin 1 , MIN HaiBo 1 , LIU ZhiGuo 1 & SI XiaoSheng 2.1 High-Tech institute of Xi’an, Xi’an 71002., china 2.{2. of Automation, tsinghua university, beijing 100084, china High-Tech institute of Xi’an Xi’an China department of Automation Tsinghua University Beijing China

The probability of pseudo-range information being faulty will increase when there is increased noise in the receiver due to highly dynamic conditions. In this paper, an intelligent fault-tolerant federated Kalman filter (IFFKF) is presented to solve the problem of invalid position information as a result of the uncertainty in the category and quantity of failed satellites in a multiple configured satellite system. At the same time, a corresponding intelligent fault-tolerant system structure based on a cell-level fusion mode of operation was designed. Furthermore, a fault diagnosis strategy is proposed to deal with gradually or suddenly changing faults. By monitoring the residual and the residual rate, an observation quality gene is obtained using a fuzzy logic control system, and the local filter is adaptively adjusted on-line. Consequently, any filtering divergence arising from a gradually changing fault can, to a large extent, be prevented. The results show that the proposed algorithm and structure can achieve reliable positioning by fully utilizing new multiple satellites, monitoring and managing the gradual fault, as well as detecting and isolating any sudden fault in a synchronous manner. As such, the proposed algorithm has the potential to improve the reliability of a multiple satellite configured navigation system.

关键词： multiple satellite configured systems fuzzy logic control intelligent fault-tolerant filtering federated filtering fault detection and isolation

New evidence for lack of CMB power on large scales

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Science china(Physics,Mechanics & Astronomy) 2010年第3期53卷 567-570页

作者： LIU Hao1 & LI TiPei1,2.3 1 Key Laboratory of Particle Astrophysics, institute of High Energy Physics, Chinese Academy of Sciences, beijing 100049, {2. 2.department of Physics & Center for Astrophysics, tsinghua university, beijing 100084, {2. 3 department of Engineering Physics & Center for Astrophysics, tsinghua university, beijing 100084, {2. Key Laboratory of Particle Astrophysics Institute of High Energy Physics Chinese Academy of Sciences Beijing China department of Physics & Center for Astrophysics Tsinghua University Beijing China department of Engineering Physics & Center for Astrophysics Tsinghua University Beijing China

A digitalized temperature map is recovered from the first light sky survey image published by the Planck team, from which an angular power spectrum of the cosmic microwave background (CMB) is derived. The amplitudes of the low multipoles (low-l) measured from the preliminary Planck power spectrum are significantly lower than those reported by the WMAP team. Possible systematical effects are far from enough to explain the observed low-l differences.

关键词： cosmology cosmic microwave background data analysis