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3D visualization model and key techniques for digital mine

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中国有色金属学会会刊：英文版 2011年第S3期21卷 748-752页

作者： JIN Bao-xuan1,FANG Yuan-min2.SONG Wei-wei2.1. Yunnan Provincial Geomatics centre, Kunming 650034, china.2. Faculty of Land Resource {2., Kunming University of Science and Technology, Kunming 650093, china Yunnan Provincial Geomatics centre Kunming 650034 China Faculty of Land Resource engineering Kunming University of Science and Technology Kunming 650093 China

Digital mine is the inevitable outcome of the information processing, and is also a complicated system engineering. Firstly, for the 3D visualization application of the digital mine, the ground and underground integrative visualization framework model was proposed based on the mine entity database. So, the visualization problem was availably resolved, as well as the professional analytical ability was improved. Secondly, aiming at the irregularities, non-uniformity, dynamics of mine entities, mix modeling method based on the entity character was put forward, in which 3D expression of mine entities was realized. Lastly, the 3D visualization project for a copper mine was experimentally studied. Satisfactory results were acquired, and the rationality of visualization model and feasibility of 3D modeling were validated.

关键词： digital mine three dimension visualization framework model spatial data modeling

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Science china.Chemistry 2004年第6期47卷 466-479页

作者： SONG Huajie1,2. XIAO Heming1 & DONG Haishan2.1. Department of Chemistry, Nanjing University of Science and Technology, Nanjing 2.0094, china.2. Institute of Chemical Materials, china.Academy of {2. Physics, Mianyang 62.900, china Department of Chemistry Nanjing University of Science and Technology Nanjing China Institute of Chemical Materials China Academy of Engineering Physics Mianyang China

The symmetry-adapted perturbation theory (SAPT) that has the ability in decompo- sition of the total interaction energy into physically meaningful components is used to provide a more fundamental understanding of intermolecular forces. This work was motivated by the diffi- culty of standard SAPT in computing the intermolecular interactions for large energetic dimer systems. SAPT based on Kohn-Sham orbitals (SAPT(DFT)) proves computationally efficient for these large systems, but has been shown to perform poorly for interaction energy components. The deficiencies of SAPT(DFT) result from wrong asymptotical behaviors of commonly used exchange-correlation potentials. To remove the deficiencies, two asymptotic corrections by means of van Leeuwen and Baerends (LB) model potential and Fermi-Amaldi (FA) type potential were applied into three small test systems comprising He2. HF2.and (N2.2.and a set of larger ni- tramide dimers at several separations. The results showed that when utilizing newly developed frequency-dependent density susceptibilities (FDDS) technique for computing dispersion energy, the FA asymptotic correction is very effective to circumvent these deficiencies in SAPT(DFT) and yields a good accuracy over the LB correction. The FA corrected SAPT(DFT) approach is capa- ble of correctly predicting all the quantitative trends in binding energies for all test cases and substantially reduces computational cost as compared with the standard SAPT calculations. The successful application of the approach to nitramide dimer demonstrates that it potentially pro- vides a good means to calculate accurately intermolecular forces in larger system such as en- ergetic systems.

关键词： intermolecular interaction, density functional theory (DFT), symmetry adapted perturbation theory (SAPT), asymptotic correction, frequency-dependent density susceptibilities (FDDS).

A complex variable meshless method for fracture problems

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Science china.Physics,Mechanics & Astronomy) 2006年第1期49卷 46-59页

作者： CHENG Yumin1 & LI Jiuhong2.1. Shanghai Institute of Applied Mathematics and Mechanics, Shanghai University, Shanghai 2.0072. china.2. Department of Building engineering, Xi’an University of Technology, Xi’an 710048, {2. Shanghai Institute of Applied Mathematics and Mechanics Shanghai University Shanghai China Department of Building engineering Xi’an University of Technology Xi’an China

Based on the moving least-square (MLS) approximation, the complex variable moving least-square approximation (CVMLS) is discussed in this paper. The complex variable moving least-square approximation cannot form ill-conditioned equations, and has greater precision and computational efficiency. Using the analytical solution near the tip of a crack, the trial functions in the complex variable moving least-square approxi- mation are extended, and the corresponding approximation function is obtained. And from the minimum potential energy principle, a complex variable meshless method for fracture problems is presented, and the formulae of the complex variable meshless method are obtained. The complex variable meshless method in this paper has greater precision and computational efficiency than the conventional meshless method. Some examples are given.

关键词： moving least-square approximation, complex variable moving least-square approximation, meshless method, complex variable meshless method, fracture.

Boundary element-free method for elastodynamics

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Science china.Physics,Mechanics & Astronomy) 2005年第6期48卷 641-657页

作者： CHENG Yumin1 & PENG Miaojuan2.1. Shanghai Institute of Applied Mathematics and Mechanics, Shanghai University, Shanghai 2.0072. china.2. Department of Civil engineering, Shanghai University, Shanghai 2.0072. {2. Shanghai Institute of Applied Mathematics and Mechanics Shanghai University Shanghai China Department of Civil engineering Shanghai University Shanghai China

The moving least-square approximation is discussed first. Sometimes the method can form an ill-conditioned equation system, and thus the solution cannot be obtained correctly. A Hilbert space is presented on which an orthogonal function system mixed a weight function is defined. Next the improved moving least-square approximation is discussed in detail. The improved method has higher computational efficiency and precision than the old method, and cannot form an ill-conditioned equation system. A boundary element-free method (BEFM) for elastodynamics problems is presented by combining the boundary integral equation method for elastodynamics and the improved moving least-square approximation. The boundary element-free method is a meshless method of boundary integral equation and is a direct numerical method compared with others, in which the basic unknowns are the real solutions of the nodal variables and the boundary conditions can be applied easily. The boundary element-free method has a higher computational efficiency and precision. In addition, the numerical procedure of the boundary element-free method for elastodynamics problems is presented in this paper. Finally, some numerical examples are given.

关键词： moving least-square approximation, improved moving least-square approximation, elastodynamics, boundary integral equation, meshless method, boundary element-free method, Fourier eigen transform.

Theoretical and experimental researches on C-band three-cavity transit-time effect oscillator

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Science china.Physics,Mechanics & Astronomy) 2004年第3期47卷 310-329页

作者： FAN Zhikai1, LIU Qingxiang1, CHEN Daibing1, TAN Jie1 & ZHOU Haijing2.1. Institute of Applied Electronics, Chinese Academy of engineering Physics, Mianyang 62.900, china.2. Institute of Applied Physics and {2. Mathematics, Beijing 100088, china Institute of Applied Electronics Chinese Academy of Engineering Physics Mianyang China Institute of Applied Physics and computational Mathematics Beijing China

The C-band three-cavity transit-time effect oscillator (3C TTTO) is a novel high power microwave device based on the transit-time effect of the three-cavity (3C) resonator. The operational principle of this device is briefly expounded in this paper, and the theoretical and experimental researches on the radial insulation diode, the 3C resonator, the double-gap output cavity and the circular waveguide bevel cut radiation antenna are presented in detail. By using the analytic method, the eigen modes and their field distributions of the 3C resonator are developed, and some basic laws of the transit-time effect are obtained in non-π mode field of the 3C resonator. At last, the experimental results are given. This device generated RF peak power in excess of 400MW with 15ns FWHM, and its beam-wave power conversion efficiency is about 17%.

关键词： C-band, three-cavity (3C) resonator, transit-time effect, high power microwave, oscillator.

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 Institute of Civil engineering and Architec-ture, Beijing 100044, {2.2. 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.

Structures and stability of isomers of[Si,N,N,P]system

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Science china.Chemistry 2004年第2期47卷 98-105页

作者： KAN Wei1, YU Haitao1, LI Mingxia1, FU Honggang1,2.& SUN Jiazhong1,2.1. College of Chemistry and Chemical engineering, Heilongjiang University, Harbin 150080, china.2. State Key Laboratory of Theoretical and {2. Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 13002., china College of Chemistry and Chemical engineering Heilongjiang University Harbin China State Key Laboratory of Theoretical and computational Chemistry Institute of Theoretical Chemistry Jilin University Changchun China

Some stationary points on the potential energy surface of [Si, N, N, P] system were located at the B3LYP/6-311G(d) and QCISD(t)/6-311+G(2.f)(single-point) levels of theory, while the isomerization, structures, and stability of these obtained isomers were suggested. The computed results indicate that only four-membered ring isomer SiNPN(E1, 2.'), which possesses butterfly-like structure and Si-P cross bonding, is kinetically stable in all optimized isomers. Other isomers may be considered as kinetically unstable towards isomerization or dissociation because of the corresponding smaller reaction barriers. Furthermore, the present paper also proposes electronic and geometric structures, vibrational frequencies and the corresponding vibrational modes, dipole moments, and rotational constants of isomer E1. To make use of the computed results, we can clearly know that the reaction pathway via an intermediate E3 (SiNPN) is the most favorable channel producing isomer E1 from fragments SiN(2.) and PN (1Σ), which have been well characterized in space, and thus, isomer E1 can be considered as a candidate for interstellar observation. The reaction enthalpy of SiN(2.) + PN(1Σ)→ E1 and the standard enthalpy of formation of isomer E1 are 2.5.2. and 457.99 kJ/mol, respectively, at 2.8.15 K. Keywords potential energy surface - [Si,N,N,P] system - isomerization - kinetic stability

关键词： potential energy surface, [Si,N,N,P] system, isomerization, kinetic stability.

Algebraically explicit analytical solu-tions for the unsteady non-Newtonian swirling flow in an annular pipe

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Science china.Physics,Mechanics & Astronomy) 2006年第4期49卷 396-400页

作者： CAI Ruixian1 & GOU Chenhua1,2.1. Institute of engineering Thermophysics, Chinese Academy of Sciences, Beijing 100080, china.2. Graduate School, Chinese Academy of Sciences, Beijing 100080, {2. Institute of engineering Thermophysics Chinese Academy of Sciences Beijing China Graduate School Chinese Academy of Sciences Beijing China

This paper presents two algebraically explicit analytical solutions for the incompressible unsteady rotational flow of Oldroyd-B type in an annular pipe. The first solution is derived with the common method of separation of variables. The second one is deduced with the method of separation of variables with addition developed in recent years. The first analytical solution is of clear physical meaning and both of them are fairly simple and valuable for the newly developing computational fluid dynamics. They can be used as the benchmark solutions to verify the applicability of the existing numerical computational methods and to inspire new differencing schemes, grid generation ways, etc. Moreover, a steady solution for the generalized second grade rheologic fluid flow is also presented. The correctness of these solutions can be easily proven by substituting them into the original governing equation.

关键词： analytical solution, Oldroyd-B type fluid, swirling flow, non-Newtonian.

Numerical simulation of air-water two-phase flow over stepped spillways

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Science china.Technological Sciences) 2006年第6期49卷 674-684页

作者： CHENG Xiangju1, CHEN Yongcan1 & LUO Lin2.1. Department of Hydraulic engineering, Tsinghua University, Beijing 100084, china.2. State Key Laboratory of Hydraulics and Mountain River engineering, Sichuan University, Chengdu 610065, china Department of Hydraulic engineering Tsinghua University Beijing China State Key Laboratory of Hydraulics and Mountain River engineering Sichuan University Chengdu China

Stepped spillways for significant energy dissipation along the chute have gained interest; popularity among researchers; dam engineers. Due to the complexity of air-water two-phase flow over stepped spillways, the finite volume computational fluid dynamics module of the FLUENT software was used to simulate the main characteristics of the flow. Adopting the RNG k- turbulence model, the mixture flow model for air-water two-phase flow was used to simulate the flow field over stepped spillway with the PISO arithmetic technique. The numerical result successfully reproduced the complex flow over a stepped spillway of an experiment case, including the interaction between entrained air bubbles; cavity recirculation in the skimming flow regime, velocity distribution; the pressure profiles on the step surface as well. The result is helpful for understanding the detailed information about energy dissipation over stepped spillways.

关键词： stepped spillway, mixture model, RNG k-εmodel, air-water two-phase flow.