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Multiple time step molecular dynamics simulation for interaction between dislocations and grain boundaries

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Acta Mechanica Sinica 2005年第4期21卷 371-379页

作者： X.Y.Li W.Yang Department of engineering mechanics,{2.,beijing 100084.china Department of engineering mechanics Tsinghua University Beijing 100084 China

A multiple time step algorithm, called reversible reference system propagator algorithm, is introduced for the long time molecular dynamics simulation. In contrast to the conventional algorithms, the multiple time method has better convergence, stability and efficiency. The method is validated by simulating free relaxation and the hypervelocity impact of nano-clusters. The time efficiency of the multiple time step method enables us to investigate the long time interaction between lattice dislocations and low-angle grain boundaries.

关键词： Multiple time step Molecular dynamics ,Dislocation Grain boundary

Stability of core-annular flow of power-law fluids in the presence of interfacial surfactant

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Science china(Physics,mechanics & Astronomy) 2010年第5期53卷 933-943页

作者： SUN XueWei,PENG Jie & ZHU KeQin Department of engineering mechanics,{2.,beijing 100084,china 1. Department of engineering mechanics Tsinghua University Beijing 100084 China

The shear-thinning influence on the core-annular flow stability of two immiscible power-law fluids is considered by making a linear stability *** flow is driven by an axial pressure gradient in a straight pipe with the interface between the two fluids occupied by an insoluble *** the basic flow for this core-annular arrangement,the analytical solution is obtained with respect to the power-law fluid *** linearized equations for the evolution of infinitesimal disturbances are derived and the stability problem is formulated as a generalized matrix eigenvalue problem,which is solved by using the software package Matlab based on the QZ *** shear-thinning property is found to have marked influence on the power-law fluid core-annular flow stability,which is reflected in various ***,the capillary instability is magnified by the shear-thinning property,which may lead to an essential difference between power-law and Newtonian fluid *** when the interface is close to the pipe wall,the power-law fluid flow may be unstable while the Newtonian fluid flow is ***,under disturbances to the interface a velocity discontinuity at the interface appears which is destabilizing to the *** magnitude of this velocity discontinuity is affected by the power-law index and the flow stability is influenced ***,the shear-thinning property may induce new stability modes which do not appear in the Newtonian fluid *** flow stability shows much dependence on the interface location,the role of which was neglected in most previous *** shear-thinning fluid flow is more unstable to long wave disturbances when the interface is close to the pipe wall,while the Newtonian fluid flow is more unstable when the interface is close to the pipe *** this trend is changed by the addition of interfacial surfactant,for which the power-law fluid flow is more stable no matter where the interface is loca

关键词： core-annular flow power-law fluid interfacial surfactant linear stability analysis

Investigation on extremal and critical characteristics of ignition time for H_2.O_2.combustion system and their applications

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Science china(Technological Sciences) 2009年第5期52卷 1161-1166页

作者： CHEN JianHua1,ZHANG HuiQiang2.LI ZhuoYi2.& ZHANG GuiTian1 1 School of Aerospace,North Western Polytechnical university,Xi’an 710072.china 2.Department of {2. mechanics,tsinghua university,beijing 100084,china School of Aerospace North Western Polytechnical University Xi’an 710072 China Department of engineering mechanics Tsinghua University Beijing 100084 China

The L,H and C curves in P-T phase are proposed to describe the minimal,maximal and critical char-acteristics of ignition time of H2.O2.combustion system,*** features of H2.O2.Air) com-bustion system,including explosion or not as well as the time delay to achieve its explosion status,can be well shown by explosion limits and these proposed *** curves can be described by 1.2.1=ks[Ms],(k11/k10+1)k1=ks[Ms],and 2.1=ks[Ms],respectively,which provide a physical explanation for these curves and give another way to establish *** on the contour of ignition time,the Z-type explosion limits can be explained by thermal explosion ***,the ignition distance of supersonic combustion is predicted according to the ignition time obtained in a Semenov system,which is very reasonable.

关键词： ignition time thermal explosion detailed reaction mechanism Semenov system supersonic combustion

Studies of the unsteady supersonic base flows around three afterbodies

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Acta Mechanica Sinica 2009年第4期25卷 471-479页

作者： Zhixiang Xiao Song Fu School of Aerospace engineering,tsinghua university, {2. beijing, china School of Aerospace engineering Tsinghua University 100084 Beijing China

Unsteady supersonic base flows around three afterbodies, cylindrical （Cy）, boattailed （BT） and three-step （MS）, are investigated in this paper. Reynolds-averaged Navier-Stokes （RANS） and two RANS/LES （large-eddy simulation） hybrid methods, detached eddy simulation （DES） and delayed-DES （DDES）, are used to predict the base flow characteristics around the baseline Cy afterbody. All the RANS and hybrid methods are based on the two-equation SST （shear-stress transport） model with compressible corrections （CC）. According to the comparison of measurements, both DES and DDES can produce more satisfactory results than RANS. RANS can only present the ＂stable＂ flow pat- terns, while the hybrid methods can demonstrate unsteady flow structures. DDES and DES results are little different from one another although the latter exhibits better agreement with the experiment. DES is taken to investigate the 5° BT and three-step afterbodies. The mean flow data and the instantaneous turbulent coherent structures are compared against available measurements.

关键词： Cylindrical Boattailed and three-stepafterbodies DES and DDES Unsteady flow

TEXTURE DETERMINATION OF THIN FILM ZrO_2.BY ELECTRON DIFFRACTION

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Acta Metallurgica Sinica(English Letters) 1993年第12期6卷 472-473页

作者： WANG Yinghua tsinghua university,beijing,{2. Department of Materials Science and engineering,tsinghua university,beijing 100084,{2. tsinghua Univ Beijing China

A method for semi-quantitative determination of thin film texture using electron diffrac- tion is *** texture state of a zirconia thin film with a cubic structure has been determined in this way and is presented as an... 详细信息

关键词： texture thin film electron diffraction ZrO_2

Self-Organizing Tunnel Peers

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计算机工程 2002年第S1期28卷 7-12页

作者： CHEN Maoke , LI Xing (Department of Electronic engineering, tsinghua university, {2.,china ) Department of Electronic engineering Tsinghua University Beijing 100084China

Tunneling is an important approach in IPv6 transition techniques. The tunnel broker model provides a way to build virtual IPv6 networks without manual ***, neither it adapts performance variation on the IPv4 infrastructure, norit is a scalable solution for a wide-area IPv6 networking environment. In this paper, a self-organizing tunnel peer (SOTP) model is *** peers are clustered in the SOTP system so that optimization is scalable. Four primitive operations related to --cluster constructionarrest,release,division and deathendow the system with the nature of self-organization. Occurrence and behavior of the operations are decided by criteria on the IPv4 end-to-end performance; hence measurement is an indispensable component of the system. The metabolism of cluster relaxes the requirement to accuracy of measurement and optimization.

关键词： S elf-organizationTunnelingEnd-to-end measurementIPv6

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 {2. mechanics,tsinghua university,beijing 100084,china 1. National Laboratory for CFD Hypervelocity Aerodynamics Institute China Aerodynamics Research and Development Center 621000 Mianyang China 2. Department of engineering mechanics Tsinghua University 100084 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.

Experimental studies on removal of carbon dioxide by aqueous ammonia fine spray

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Science china(Technological Sciences) 2010年第1期53卷 117-122页

作者： NIU ZhenQi,GUO YinCheng & LIN WenYi Department of engineering mechanics,School of Aerospace,{2.,beijing 100084,china 1. Department of engineering mechanics School of Aerospace Tsinghua University Beijing 100084 China

Experimental studies on carbon dioxide capture in a spray scrubber were carried *** spray of aqueous ammonia was used as CO2.*** of different operating and design parameters on CO2.removal efficiency including concentration of aqueous ammonia,liquid flow rate,total gas flow rate,initial temperature and concentration of carbon dioxide were investigated.

关键词： carbon dioxide aqueous ammonia absorption removal efficiency fine spray

Measurement of Mean Burst Period in WallTurbulence by Wavelet Analysis

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Communications in Nonlinear Science and Numerical Simulation 1999年第3期4卷 3-5页

作者： Li LI Chunxiao XU Zhaoshun ZHANG and Guialang CUI(Department of engineering mechanics, {2., beijing 100084, china) Department of engineering mechanics Tsinghua University Beijing 100084 China

IntroductionInwallturbulence,theejectionoflow-speedfluidfromthewallandthesweepofth***urst,andwhentheflowisbursting,therealwaysea... 详细信息

IntroductionInwallturbulence,theejectionoflow-speedfluidfromthewallandthesweepofth***urst,andwhentheflowisbursting,therealwaysea...

关键词： turbulence burst phenomena wavelet analysis