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Study on the Influence of Piloti on Mean Radiant Temperature in Residential Blocks by 3-D Unsteady State Heat Balance Radiation Calculation 被引量:1
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作者 Tian-Yu Xi Jian-Hua Ding Hong Jin 《Journal of Harbin Institute of Technology(New Series)》 EI CAS 2014年第4期91-95,共5页
Piloti is commonly used in tropical and subtropical climate zones to get high wind velocity and create shadowed areas in order to optimize the living environment of residential blocks,but there are few studies to reve... Piloti is commonly used in tropical and subtropical climate zones to get high wind velocity and create shadowed areas in order to optimize the living environment of residential blocks,but there are few studies to reveal the influence of piloti on the radiant environment of residential blocks systematically. Taking the city of Guangzhou as an example,using 3-D Unsteady State Heat Balance Radiation Calculation Method,this paper shows that the mean radiant temperature( MRT) under piloti area increases with the increase of piloti ratio,and especially when piloti ratio is equal to 100%,the MRT increase trend becomes sharp. The MRT of exposed area decreases with the increase of piloti ratio,especially when piloti ratio reaches 100%,the decrease trend of MRT becomes sharp,which offers the reference for the study on piloti design in subtropical climate zones and further research on living environment by CFD simulation in residential blocks. 展开更多
关键词 piloti mean radiant temperature 3-d unsteady state heat balance radiation calculation residential block
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Elastic and Optoelectronic Properties of KCdF3:ab initio Calculations through LDA/GGA/TB-mBJ within FP-LAPW Method
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作者 K. Ephraim Babu N. Murali +2 位作者 K. Vijaya Babu B. Kishore Babu V. Veeraiah 《Chinese Physics Letters》 SCIE CAS CSCD 2015年第1期108-112,共5页
Ab initio calculations are performed on the electronic, structural, elastic and optical properties of the cubic per- ovskite KCdF3. Tile Kohn Sham equations are solved by applying the full potential linearized augment... Ab initio calculations are performed on the electronic, structural, elastic and optical properties of the cubic per- ovskite KCdF3. Tile Kohn Sham equations are solved by applying the full potential linearized augmented plane wave (FP-LAPW) method. The exchange correlation effects are included through the local density approximation (LDA ), generalized gradient approximation (GGA) and modified Becke-Johnson (mBJ) exchange potential The calculated lattice constant is in good agreement with the experimental result. The elastic properties such as elastic constants, anisotropy factor, shear modulus, Young's modulus and Poisson's ratio are calculated. KCdF3 is ductile and elastically anisotropic. The calculations of the electronic band structure, density of states (DOS) and charge density show that this compound has an indirect energy band gap (M-F) with a mixed ionic and covalent bonding. The contribution of the different bands is analyzed from the total and partial density of states curves. Optical response of the dielectric functions, optical reflectivity, absorption coefficient, real part of optical conductivity, refractive index, extinction coefficient and electron energy loss, are presented for the energy range of O-40eV. The compound KCdF3 can be used for high-frequency optical and optoelectronic devices. 展开更多
关键词 GGA Cd Elastic and Optoelectronic Properties of KCdF3:ab initio calculations through LDA/GGA/TB-mBJ within FP-LAPW method LDA FP
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Reconstruction of 3-D digital cores using a hybrid method 被引量:30
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作者 Liu Xuefeng Sun Jianmeng Wang Haitao 《Applied Geophysics》 SCIE CSCD 2009年第2期105-112,共8页
A 3-D digital core describes the pore space microstructure of rocks. An X-ray micro CT scan is the most accurate and direct but costly method to obtain a 3-D digital core. In this study, we propose a hybrid method whi... A 3-D digital core describes the pore space microstructure of rocks. An X-ray micro CT scan is the most accurate and direct but costly method to obtain a 3-D digital core. In this study, we propose a hybrid method which combines sedimentation simulation and simulated annealing (SA) method to generate 3-D digital cores based on 2-D images of rocks. The method starts with the sedimentation simulation to build a 3-D digital core, which is the initial configuration for the SA method. We update the initial digital core using the SA method to match the auto-correlation function of the 2-D rock image and eventually build the final 3-D digital core. Compared with the typical SA method, the hybrid method has significantly reduced the computation time. Local porosity theory is applied to quantitatively compare the reconstructed 3-D digital cores with the X-ray micro CT 3-D images. The results indicate that the 3-D digital cores reconstructed by the hybrid method have homogeneity and geometric connectivity similar to those of the X-ray micro CT image. The formation factors and permeabilities of the reconstructed 3-D digital cores are estimated using the finite element method (FEM) and lattice Boltzmann method (LBM), respectively. The simulated results are in good agreement with the experimental measurements. Comparison of the simulation results suggests that the digital cores reconstructed by the hybrid method more closely reflect the true transport properties than the typical SA method alone. 展开更多
关键词 3-d digital core simulated annealing method sedimentation simulation
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3-D Geological Modeling-Concept,Methods and Key Techniques 被引量:19
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作者 PAN Mao LI Zhaoliang +2 位作者 GAO Zhongbo YANG Yang WU Gengyu 《Acta Geologica Sinica(English Edition)》 SCIE CAS CSCD 2012年第4期1031-1036,共6页
3-D geological modeling plays an increasingly important role in Petroleum Geology, Mining Geology and Engineering Geology. The complexity of geological conditions requires different modeling methods in different situa... 3-D geological modeling plays an increasingly important role in Petroleum Geology, Mining Geology and Engineering Geology. The complexity of geological conditions requires different modeling methods in different situations. This paper summarizes the general concept of geological modeling; compares the characteristics of borehole-based modeling, cross-section based modeling and multi- source interactive modeling; analyses key techniques in 3-D geological modeling; and highlights the main difficulties and directions of future studies. 展开更多
关键词 3-d geological modeling geological interpretation methods of modeling quality of models
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ANALYSIS OF SLAB EDGING BY A 3-D RIGID VISCO-PLASTIC FINITE ELEMENT METHOD 被引量:1
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作者 Zhang Xiaoming Jiang Zhengyi Liu Xianghua Wang Guodong State Key Laboratory of Rolling Technology and Automation,Northeastern University, Shenyang 110006,China 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2002年第1期48-52,共5页
3-D rigid visco-plastic finite element method (FEM) is used in the analysisof metal forming processes, including strip and plate rolling, shape rolling, slab edging, specialstrip rolling. The shifted incomplete Choles... 3-D rigid visco-plastic finite element method (FEM) is used in the analysisof metal forming processes, including strip and plate rolling, shape rolling, slab edging, specialstrip rolling. The shifted incomplete Cholesky decomposition of the stiffness matrix with thesolution of the equations for velocity increment by the conjugate gradient method is combined. Thistechnique, termed the shifted ICCG method, is then employed to solve the slab edging problem. Theperformance of this algorithm in terms of the number of iterations, friction variation, shiftedparameter psi and the results of simulation for processing parameters are analysed. Numerical testsand application of this technique verify the efficiency and stability of the shifted ICCG method inthe analysis of slab edging. 展开更多
关键词 3-d rigid visco-plastic FEM Shifted ICCG method Slab edging Frictionvariation
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A, ■-Ω METHOD FOR 3-D EDDY CURRENT ANALYSIS
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作者 施展伟 赵兴华 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI 1998年第11期0-0,0-0+0-0+0,共7页
After the field equations and the snonumuoo conditions between the interfaces for 3D eddy current problems Under various gauges were discussed, it was pointed cut in this paper that using the magnetic vector potentia... After the field equations and the snonumuoo conditions between the interfaces for 3D eddy current problems Under various gauges were discussed, it was pointed cut in this paper that using the magnetic vector potential A. the electric scalar potential and Coulomb gauge △ .A = 0 in eddy current regions and using the magntetic scalar potential Ω in the non-conducting regions are more suitable. All field equations, the boundary conditions, the interface continuity conditions and the corresponding variational principle of this method are also given 展开更多
关键词 3-d eddy current field A method interface continuous conditions
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MICRO MECHANICAL ANALYSIS OF 3-D WOVEN COMPOSITES 被引量:2
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作者 周光明 周储伟 王新峰 《Transactions of Nanjing University of Aeronautics and Astronautics》 EI 2004年第3期163-167,共5页
A micro mechanical model is carried out to predict micro stresses and macro elastic properties of 3-D woven composites. A unit cell is composed of two phases. One is fiber yarn and the other is resin or fiber yarn in ... A micro mechanical model is carried out to predict micro stresses and macro elastic properties of 3-D woven composites. A unit cell is composed of two phases. One is fiber yarn and the other is resin or fiber yarn in transverse. The additional shearing introduced by bending of fiber yarn is considered. The method to determine the microstructure is also discussed. This model is applied to the analysis of a 3-D woven graphite/epoxy composite. Micro stresses of the cell are studied, and then macro modulus is obtained by employing the average method. The predictions agree well with experimental results. 展开更多
关键词 micro mechanics 3-d woven composites Galerkin method
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A study on 3-D velocity structure of crust and upper mantle in Sichuan -Yunnan region, China 被引量:7
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作者 王椿镛 Mooney W.D +3 位作者 王溪莉 吴建平 楼海 王飞 《Acta Seismologica Sinica(English Edition)》 CSCD 2002年第1期1-17,共17页
Based on the first arrival P and S data of 4 625 regional earthquakes recorded at 174 stations dispersed in the Yunnan and Sichuan Provinces, the 3-D velocity structure of crust and upper mantle in the region is deter... Based on the first arrival P and S data of 4 625 regional earthquakes recorded at 174 stations dispersed in the Yunnan and Sichuan Provinces, the 3-D velocity structure of crust and upper mantle in the region is determined, incorporating with previous deep geophysical data. In the upper crust, a positive anomaly velocity zone exists in the Sichuan basin, whereas a negative anomaly velocity zone exists in the western Sichuan plateau. The boundary between the positive and negative anomaly zones is the Longmenshan fault zone. The images of lower crust and upper mantle in the Longmenshan fault, Xianshuihe fault, Honghe fault and others show the characteristic of tectonic boundary, indicating that the faults likely penetrate the Moho discontinuity. The negative velocity anomalies at the depth of 50 km in the Tengchong volcanic area and the Panxi tectonic zone appear to be associated with the temperature and composition variations in the upper mantle. The overall features of the crustal and the upper mantle structures in the SichuanYunnan region are the lower average velocity in both crust and uppermost mantle, the large crustal thickness variations, and the existence of high conductivity layer in the crust or/and upper mantle, and higher geothermal value. All these features are closely related to the collision between the India and the Asia plates. The crustal velocity in the SichuanYunnan rhombic block generally shows normal value or positive anomaly, while the negative anomaly exists in the area along the large strike-slip faults as the block boundary. It is conducive to the crustal block side-pressing out along the faults. In the major seismic zones, the seismicity is relative to the negative anomaly velocity. Most strong earthquakes occurred in the upper-mid crust with positive anomaly or normal velocity, where the negative anomaly zone generally exists below. 展开更多
关键词 regional earthquake Moho discontinuity 3-d velocity structure network method plate collision SEISMICITY
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3-D fracture network dynamic simulation based on error analysis in rock mass of dam foundation 被引量:5
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作者 ZHONG Deng-hua WU Han +2 位作者 WU Bin-ping ZHANG Yi-chi YUE Pan 《Journal of Central South University》 SCIE EI CAS CSCD 2018年第4期919-935,共17页
Accurate 3-D fracture network model for rock mass in dam foundation is of vital importance for stability,grouting and seepage analysis of dam foundation.With the aim of reducing deviation between fracture network mode... Accurate 3-D fracture network model for rock mass in dam foundation is of vital importance for stability,grouting and seepage analysis of dam foundation.With the aim of reducing deviation between fracture network model and measured data,a 3-D fracture network dynamic modeling method based on error analysis was proposed.Firstly,errors of four fracture volume density estimation methods(proposed by ODA,KULATILAKE,MAULDON,and SONG)and that of four fracture size estimation methods(proposed by EINSTEIN,SONG and TONON)were respectively compared,and the optimal methods were determined.Additionally,error index representing the deviation between fracture network model and measured data was established with integrated use of fractal dimension and relative absolute error(RAE).On this basis,the downhill simplex method was used to build the dynamic modeling method,which takes the minimum of error index as objective function and dynamically adjusts the fracture density and size parameters to correct the error index.Finally,the 3-D fracture network model could be obtained which meets the requirements.The proposed method was applied for 3-D fractures simulation in Miao Wei hydropower project in China for feasibility verification and the error index reduced from 2.618 to 0.337. 展开更多
关键词 rock mass of dam foundation 3-d fracture network dynamic simulation fractal dimension error analysis relative absolute error(RAE) downhill simplex method
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Electronic structure and optical properties of Ge-and F-doped α-Ga2O3:First-principles investigations 被引量:2
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作者 Ti-Kang Shu Rui-Xia Miao +3 位作者 San-Dong Guo Shao-Qing Wang Chen-He Zhao Xue-Lan Zhang 《Chinese Physics B》 SCIE EI CAS CSCD 2020年第12期402-407,共6页
The prospect ofα-Ga2O3 in optical and electrical devices application is fascinating.In order to obtain better performance,Ge and F elements with similar electronegativity and atomic size are selected as dopants.Based... The prospect ofα-Ga2O3 in optical and electrical devices application is fascinating.In order to obtain better performance,Ge and F elements with similar electronegativity and atomic size are selected as dopants.Based on density functional theory(DFT),we systematically research the electronic structure and optical properties of dopedα-Ga2O3 by GGA+U calculation method.The results show that Ge atoms and F atoms are effective n-type dopants.For Ge-dopedα-Ga2O3,it is probably obtained under O-poor conditions.However,for F-dopedα-Ga2O3,it is probably obtained under O-rich conditions.The doping system of F element is more stable due to the lower formation energy.In this investigation,it is found that two kinds of doping can reduce theα-Ga2O3 band gap and improve the conductivity.What is more,it is observed that the absorption edge after doping has a blue shift and causes certain absorption effect on the visible region.Through the whole scale of comparison,Ge doping is more suitable for the application of transmittance materials,yet F doping is more appropriate for the application of deep ultraviolet devices.We expect that our research can provide guidance and reference for preparation ofα-Ga2O3 thin films and photoelectric devices. 展开更多
关键词 DFT GGA+U calculation method α-Ga2O3 DOPING
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One-pot molten salt method for constructing CdS/C_(3)N_(4) nanojunctions with highly enhanced photocatalytic performance for hydrogen evolution reaction 被引量:3
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作者 Weijia Zhao Hongyun Niu +3 位作者 Yongliang Yang Hongzhou Lv Jungang Lv Yaqi Cai 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2022年第2期244-257,共14页
The construction of heterojunction photocatalysts for efficiently utilizing solar energy has attracted considerable attention to solve the energy crisis and reduce environmental pollution.In this study,we use the ener... The construction of heterojunction photocatalysts for efficiently utilizing solar energy has attracted considerable attention to solve the energy crisis and reduce environmental pollution.In this study,we use the energy released from an easily-occurred exothermic chemical reaction to serve as the drive force to trigger the formation of Cd S and C_(3)N_(4) nanocomposites which are successfully fabricated with cadmium nitrate and thiourea without addition of any solvents and protection of inert gas at initial temperature,a little higher than the melting point of thiourea.The as-prepared Cd S/C_(3)N_(4) materials exhibit high efficiency for photocatalytic hydrogen evolution reaction(HER)with the HER rate as high as 15,866μmol/(g·hr)under visible light irradiation(λ>420 nm),which is 89 and 9 times those of pristine C_(3)N_(4) and Cd S,respectively.Also,the apparent quantum efficiency(AQE)of Cd S/C_(3)N_(4)–1:2–200–2(Cd S/C_(3)N_(4)–1:2–200–2 means the ratio of Cd to S is 1:2 and the reaction temperature is set at 200℃ for two hours)reaches 3.25%atλ=420±15 nm.After irradiated for more than 24 hr,the HER efficiencies of Cd S/C_(3)N_(4) do not exhibit any attenuation.The DFT calculation suggests that the charge difference causes an internal electric field from C_(3)N_(4) pointing to Cd S,which can more effectively promote the transfer of photogenerated electrons from Cd S to C_(3)N_(4).Therefore,most HER should occur on C_(3)N_(4) surface where photogenerated electrons accumulate,which largely protects Cd S from photo-corrosion. 展开更多
关键词 One-pot molten salt method Cd S/C_(3)N_(4)nanojunctions Photocatalytic hydrogen evolution reaction Anti-photo-corrosion DFT calculation
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Thre-dimensional topographic responses in MT using finite diference method 被引量:1
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作者 陈伯舫 候作中 范国华 《Acta Seismologica Sinica(English Edition)》 EI CSCD 1998年第5期111-115,共5页
In this paper, the magnetotelluric response to 3-D earth topography was studied using the finite difference method for rectangular cells. Three numerical modeling calculations were carried out; the results indicate th... In this paper, the magnetotelluric response to 3-D earth topography was studied using the finite difference method for rectangular cells. Three numerical modeling calculations were carried out; the results indicate that the finite difference method is applicable to the magnetotelluric problem in estimating the 3-D topographic responses. 展开更多
关键词 D finite difference method 3-d topographic response magnetotelluric method
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Three Dimensional Laser Point Cloud Slicing Method for Calculating Irregular Volume 被引量:7
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作者 Bin LI Xiaofa ZHAO +3 位作者 Yong CHEN Junbo WEI Lu WANG Bochao MA 《Journal of Geodesy and Geoinformation Science》 2019年第4期31-43,共13页
Volume parameter is the basic content of a spatial body object morphology analysis.However,the challenge lies in the volume calculation of irregular objects.The point cloud slicing method proposed in this study effect... Volume parameter is the basic content of a spatial body object morphology analysis.However,the challenge lies in the volume calculation of irregular objects.The point cloud slicing method proposed in this study effectively works in calculating the volume of the point cloud of the spatial object obtained through three-dimensional laser scanning(3DLS).In this method,a uniformly spaced sequent slicing process is first conducted in a specific direction on the point cloud of the spatial object obtained through 3DLS.A series of discrete point cloud slices corresponding to the point cloud bodies are then obtained.Subsequently,the outline boundary polygon of the point cloud slicing is searched one by one in accordance with the slicing sequence and areas of the polygon.The point cloud slice is also calculated.Finally,the individual point cloud section volume is calculated through the slicing areas and the adjacent slicing gap.Thus,the total volume of the scanned spatial object can be calculated by summing up the individual volumes.According to the results and analysis of the calculated examples,the slice-based volume-calculating method for the point cloud of irregular objects obtained through 3DLS is correct,concise in process,reliable in results,efficient in calculation methods,and controllable on accuracy.This method comes as a good solution to the volume calculation of irregular objects. 展开更多
关键词 3DLS point cloud volume calculation point cloud slicing method point cloud segmenting method outline boundary polygon bidirectional search of the closest approach amplification effect morphological distortion
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Statistical Model of the 3-D Braided Composites Strength
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作者 XIAO Laiyuan ZUO Weiwei CAI Ganwei LIAO Daoxun 《Wuhan University Journal of Natural Sciences》 CAS 2007年第6期1077-1082,共6页
Based on the statistical model for the tensile statistical strength of unidirectional composite materials and the stress analysis of 3-D braided composites, a new method is proposed to calculate the tensile statistica... Based on the statistical model for the tensile statistical strength of unidirectional composite materials and the stress analysis of 3-D braided composites, a new method is proposed to calculate the tensile statistical strength of the 3-D braided compos- ites. With this method, the strength of 3-D braided composites can be calculated with very large accuracy, and the statistical parameters of 3-D braided composites can be determined. The numerical result shows that the tensile statistical strength of 3-D braided composites can be predicted using this method. 展开更多
关键词 3-d braided composites strength calculation statistical model
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A SELF-SIMILAR CRACK EXPANSION METHOD FOR THREE-DIMENSIONAL CRACKS IN AN INFINITE OR SEMI-INFINITE MEDIUM
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作者 Brian Moran Ted Belytschko 《Acta Mechanica Solida Sinica》 SCIE EI 1996年第3期217-235,共19页
The Self-Similar Crack Expansion (SSCE) method is used to calculate stress intensity factors for three-dimensional cracks in an infinite medium or semi-infinite medium by the boundary integral element technique, where... The Self-Similar Crack Expansion (SSCE) method is used to calculate stress intensity factors for three-dimensional cracks in an infinite medium or semi-infinite medium by the boundary integral element technique, whereby, the stress intensity factors at crack tips are determined by calculating the crack-opening displacements over the crack surface. For elements on the crack surface, regular integrals and singular integrals are precisely evaluated based on closed form expressions, which improves the accuracy. Examples shaw that this method yields very accurate results for stress intensity factors of penny-shaped cracks and elliptical cracks in the full space, with errors of less than 1% as compared with analytical solutions. The stress intensity factors of subsurface cracks ate in good agreement with other analytical solutions. 展开更多
关键词 self-similar crack expansion stress intensity crack extension method 3-d cracks
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Improved treatments for evaluating horizontal magnetic components through the 3-D FDM in E-polarization induction problems
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作者 CHEN Po-fang(陈伯舫) 《Acta Seismologica Sinica(English Edition)》 CSCD 2002年第5期519-525,共7页
To improve the accuracy of the numerical evaluation through the 3-D finite difference method, the surface boundary conditions are added to modify the old program. The author has tested the new program by making calcul... To improve the accuracy of the numerical evaluation through the 3-D finite difference method, the surface boundary conditions are added to modify the old program. The author has tested the new program by making calculations for the model constructed by Wanamaker, et al (1984). The comparison between the numerical results obtained from this paper and those by Wannamaker, et al (1984) indicates that a pronounced improvement is realized in the evaluation of the horizontal magnetic components. Moreover, better calculations for the vertical magnetic components are also obtainable by using the new program. 展开更多
关键词 numerical modeling 3-d finite difference method surface boundary conditions
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Numerical modeling calculation for the spatial distribution characteristics of horizontal field transfer functions
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作者 龚绍京 陈化然 《Acta Seismologica Sinica(English Edition)》 EI CSCD 2001年第6期676-684,共9页
Applying 3-dimension finite difference method, the distribution characteristics of horizontal field transfer functions for rectangular conductor have been computed, and the law of distribution for Re-part and Im-part ... Applying 3-dimension finite difference method, the distribution characteristics of horizontal field transfer functions for rectangular conductor have been computed, and the law of distribution for Re-part and Im-part has been given. The influences of source field period, the conductivity, the buried depth and the length of the conductor on the transfer functions were studied. The extrema of transfer functions appear at the center, the four corners and around the edges of conductor, and move with the edges. This feature demonstrates that around the edges are best places for transfer functions' observation. 展开更多
关键词 numerical modeling 3-d finite difference method horizontal field transfer function spatial distribution characteristics
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Predication of 3-D Viscous Flowfield of a Centrifugal Impeller
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作者 Limin Gao Xudong Feng Jian Xie 《Energy and Power Engineering》 2011年第1期29-33,共5页
A three-dimensional viscous code has been developed to solve Reynolds-averaged Navier-Stokes equations. The governing equations in finite volume form are solved by two-step Runge-Kutta scheme with implicit residual sm... A three-dimensional viscous code has been developed to solve Reynolds-averaged Navier-Stokes equations. The governing equations in finite volume form are solved by two-step Runge-Kutta scheme with implicit residual smoothing. The eddy viscous is obtained using the Baldwin-Lomax model. A prediction of the 3-D turbulent flow and the performance in the “all-over controlled vortex distribution” centrifugal impeller with a vaneless diffuser has been made for the compressor at design and off-design condition. The predicted effi-ciency is a little higher than the experiment data. These results suggest that the present calculation code is able to determine the flow development in the impeller and also the turbulence model in the centrifugal im-peller should be improved. 展开更多
关键词 CENTRIFUGAL IMPELLER Aerodynamic Performance 3-d VISCOUS Flow calculation Design & OFF-dESIGN Conditions
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Reconstruction of Temperature Field in 3-D, Absorbing, Emitting, and Anisotropically Scattering Medium
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作者 赵敬德 刘妮 钟珂 《Journal of Donghua University(English Edition)》 EI CAS 2006年第2期17-21,共5页
The soft measurement technology of flame temperature field is an efficient method to learn the combustion status in furnace. Generally, it reconstructs the temperature field in furnace through the image of flame, whic... The soft measurement technology of flame temperature field is an efficient method to learn the combustion status in furnace. Generally, it reconstructs the temperature field in furnace through the image of flame, which is a process to solve radiative inverse problem. In this paper, the flame of pulverized coal is considered as 3-D, absorbing, emitting, and anisotropically scattering non-gray medium. Through the study on inverse problem of radiative heat transfer, the temperature field in this kind of medium has been reconstructed. The mechanism of 3-D radiative heat transfer in a rectangular media, which is 2 m×3 m× 5 m and full of CO2, N2 and carbon particles, is studied with Monte Carlo method. The 3-D temperature field in this rectangular space is reconstructed and the influence of particles density profile is discussed. 展开更多
关键词 reconstruction of 3-d temperature field anisotropically scattering non-gray medium Monte Carlo method density profile inverse problem of radiative heat transfer.
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MINDO/3级别上的最大重迭对称性分子轨道 被引量:1
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作者 叶世勇 汪凌云 湛昌国 《安徽师范大学学报(自然科学版)》 CAS 2002年第3期249-253,共5页
建立了MINDO/ 3级别上的最大重迭对称性分子轨道计算方案 (MOSMO) .并采用通常的半经验分子轨道方法MINDO/ 3级别中完全相同的参数方案 ,计算了各种分子的几何参数、电离能、能级等 ,所得结果与实验值及MINDO/ 3半经验分子轨道方法计算... 建立了MINDO/ 3级别上的最大重迭对称性分子轨道计算方案 (MOSMO) .并采用通常的半经验分子轨道方法MINDO/ 3级别中完全相同的参数方案 ,计算了各种分子的几何参数、电离能、能级等 ,所得结果与实验值及MINDO/ 3半经验分子轨道方法计算结果相符 ,说明提出的计算方案是可行的 .同时 ,由于提出的计算方案过程简单 。 展开更多
关键词 MINDO/3级别 最大重迭对称性分子轨道 半经验分子轨道方法 几何参数 电离能 能级 量子化学计算
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