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New research progress on the ultrastructure of tectonically deformed coals

Progress in Natural Science:Materials International 2009年第11期19卷 1455-1466页

作者： Yiwen Ju,Xiaoshi Li laboratory of computational {2.,college of Earth Science,graduate university of Chinese Academy of Sciences,beijing 100049,china [a]laboratory of computational {2. College of Earth Science Graduate University of Chinese Academy of Sciences Beijing 100049 China

The structure of tectonically deformed coals shows some characteristics and regulations on the ultra-scale when influenced by different factors such as temperature,pressure and directional *** of the macromolecular structure may induce changes in the nano-scale pore structure,which are very important for gas adsorption and *** geological impact of different mechanisms of deformation on different types of ultrastructure of tectonically deformed coals is not only of significance as a topic for scientific research, but also in studying environments of metamorphism-deformation at differing metamorphic *** research is also very important in studying the accumulation and occurrence conditions of coalbed methane gas,mechanisms of coal and gas outbursts,predictions of coalbed methane resources and dangers of coal and gas *** paper analyzes current research,within china and other countries, in the ultrastructure of tectonically deformed *** research includes(1) structural models of tectonically deformed coals;(2. the relationship between ultrastructure and stress;(3) the structure of tectonically deformed coals and its strain *** results are also based on our own experiments including vitirnite reflectance(Ro,max),X-ray diffraction(XRD) and nuclear magnetic resonance (NMR(CP/MAS + TOSS)).We discuss the important effects of the structure of tectonically deformed coals and their physical properties,and then point out some problems concerning the research progress of tectonically deformed coals.

关键词： Tectonically deformed coals Ultrastructure Pore structure Tectonic stress Strain environment

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^(13)C NMR spectra of tectonic coals and the effects of stress on structural components

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Science china Earth Sciences 2005年第9期48卷 1418-1437页

作者： JU Yiwen1,2. JIANG Bo1, HOU Quanlin2. WANG Guiliang1 & NI Shanqin2.1. college of Mineral Resource and geosciences,{2. university of Mining and Technology, Xuzhou 2.1008,{2. 2. laboratory of computational geodynamics, college of geosciences, graduate School of Chinese Academy of Sciences, beijing 100049,{2. 1. college of Mineral Resource and geosciences China University of Mining and Technology 221008 Xuzhou China 2. laboratory of computational geodynamics College of Geosciences Graduate School of Chinese Academy of Sciences 100049 Beijing China

High-resolution 13C Nuclear Magnetic Resonance (NMR) spectra of different kinds of tectonic coals were obtained using the NMR (CP/MAS+TOSS) method. On the basis of this, after simulation synthesis and division of spectra, the relative contents of carbon functional groups were calculated. Combined with results of Ro, max, XRD testing and element analysis, stress effects on the composition of macromolecular structures in tectonic coals were studied further. The results showed that Ro, max was not only the important index for describing coal rank, but was also effective for estimating the stress effect of tectonic coals. Under tectonic stress ac- tion, Ro, max was the most direct indicator of the coal structure and chemical components. Changes in the stacking Lc of the coal basic structure unit (BSU) and La/Lc parameters could distinguish the temperature and stress effects on metamorphic-deformed environments, and re- flected the degree of structural deformation. Therefore, on the whole, Lc and La/Lc can be used to index of the degree of structural deformation of tectonic coals. In different metamorphic and de- formed environments, different kinds of tectonic coals are formed under structural stress. The changes in characteristics of the macromolecular structure and chemical composition are such that as the increase in structural deformation becomes stronger, from the brittle deformation coal to ductile deformation coal, the ratio of width at the half height of the aromatic carbon and ali- phatic carbon peaks (Hfa/Hfal ) was increased. As carbon aromaticity was raised further, carbon aliphaticity reduced obviously and different compositions of macromolecular structure appeared as a jump and wave pattern except for in wrinkle structure coal, which might result chiefly from stress effects on the macromolecular structure of different kinds of tectonic coals. The macro- moecular changes of wrinkle structure coal are reflected mainly on physical structure. In the metamorphi

关键词： tectonic coal, NMR, macromolecular structure, chemical component, stress effect.

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Virtual ChuanDian--A parallel numerical modeling of Sichuan-Yunnan regional strong earthquake activities: Model construction and parallel simulation

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Science china Earth Sciences 2009年第10期52卷 1585-1598页

作者： ZHANG Huai1, WU ZhongLiang1,2. ZHANG DongNing2. LIU Jie2. WANG Hui2. YAN ZhenZhen1,2.& SHI YaoLin11 laboratory of computational {2., graduate university of Chinese Academy of Sciences, beijing 100049, china 2.Institute of Geophysics, Chinese Earthquake Administration, beijing 100081, china 1. laboratory of computational {2. Graduate University of Chinese Academy of Sciences Beijing 100049 China 2. Institute of Geophysics Chinese Earthquake Administration Beijing 100081 China

Reasonable use of mathematical modeling and numerical simulation of regional earthquake activities has attracted more and more attentions in realistic seismicity studies in recent years. The inherent nature of their attendant multi-scale properties, from either the temporal or the spatial direction, necessitates the use of the cutting-edge massive parallel data processing techniques. Our study here is focused on the model construction and numerical simulation of the regional stress evolution after large earthquake sequences along the fault zones in Sichuan and Yunnan areas, using large-scale parallel finite element approximations with tens of millions of unstructured meshes on the distributed systems. The objective of our study is to provide a state-of-the-art model and a large-scale numerical simulation platform, on which estimation of the risk of large earthquake triggering sequences can be carried out in a middle or long-term time scale with realistic data and constrains inputted from field observation and geological survey.

关键词： Sichuan-Yunan area seismic processing parallel simulation initial stress field

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Stochastic dynamic model of SARS spreading

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Chinese Science Bulletin 2003年第13期48卷 1287-1292页

作者： SHI Yaolin computational geodynamics {2. of graduate School of Chinese Academy of Sciences, beijing 100039, china (e-mail: shiyl@***) computational geodynamics {2. of graduate School of Chinese Academy of Sciences 100039 Beijing China.

Based upon the simulation of the stochastic process of infection, onset and spreading of each SARS patient, a system dynamic model of SRAS spreading is constructed. Data from Vietnam is taken as an example for Monte Carlo test. The preliminary results indicate that the time-dependent infection rate is the most important control factor for SARS spreading. The model can be applied to prediction of the course with fluctuations of the epidemics, if the previous history of the epidemics and the future infection rate under control measures are known.

关键词： SARS 非典型肺炎随机过程传染病模型疫情控制

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Mathematical stencil and its application in finite difference approximation to the Poisson equation

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Science china Mathematics 2005年第10期48卷 1421-1429页

作者： FENG Hui~1 ZHANG Baolin~(1,2. & LIU Yang~1 1. Department of Mathematics,Wuhan university,Wuhan 430072.china 2. {2. of computational Physics,Institute of Applied Physics and computational Mathematics,beijing 100088. china 1. Department of Mathematics Wuhan University 430072 Wuhan China 2. laboratory of computational Physics Institute of Applied Physics and Computational Mathematics 100088 Beijing China

The concept of mathematical stencil and the strategy of stencil elimination for solving the finite difference equation is presented, and then a new type of the iteration algorithm is established for the Poisson equation. The new algorithm has not only the obvious property of parallelism, but also faster convergence rate than that of the classical Jacobi iteration. Numerical experiments show that the time for the new algorithm is less than that of Jacobi and Gauss-Seidel methods to obtain the same precision, and the computational velocity increases obviously when the new iterative method, instead of Jacobi method, is applied to polish operation in multi-grid method, furthermore, the polynomial acceleration method is still applicable to the new iterative method.

关键词： mathematical stencil, stencil elimination, Poisson equation, finite difference, iterative algorithm,parallelism.

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Simulation of three-dimensional nonideal MHD flow at high magnetic Reynolds number

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中国科学：技术科学英文版 2010年第1期53卷 206-212页

作者： LU HaoYu1 & Lee ChunHian2.1 School of Astronautics,Beihang university,beijing 100191,{2. 2.National laboratory for computational Fluid Dynamics,Beihang university,beijing 100191,{2. 1. School of Astronautics Beihang University Beijing 100191 China2. National Laboratory for Computational Fluid Dynamics Beihang University Beijing 100191 China

A conservative TVD scheme is adopted to solve the equations governing the three-dimensional flow of a nonideal compressible conducting fluid in a magnetic *** eight-wave equations for magnetohydrodynamics(MHD) are proved to be a non-strict hyperbolic system,therefore it is difficult to develop its *** developed a new set of equations which cannot be numerically simulated by conservative TVD scheme directly due to its non-conservative form.A conservative TVD scheme augmented with a new set of eigenvectors is proposed in the *** validate this scheme,1-D MHD shock tube,unsteady MHD Rayleigh problem and steady MHD Hartmann problem for different flow conditions are *** simulated results are in good agreement with the existing analytical *** this scheme can be used to effectively simulate high-conductivity fluids such as cosmic MHD problem and hypersonic MHD flow over a blunt body,etc.

关键词： magnetohydrodynamics(MHD) numerical simulation TVD MHD Rayleigh flow MHD Hartmann flow

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Existence of the solutions and the attractors for the large-scale atmospheric equations

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Science china Earth Sciences 2006年第6期49卷 650-660页

作者： HUANG Haiyang1 & GUO Boling2.1. Department of Mathematics, beijing Normal university, beijing 100875, china 2. Institute of Applied Physics and computational Mathematics, beijing 100080, china 1. Department of Mathematics Beijing Normal University Beijing 100875 China 2. Institute of Applied Physics and computational Mathematics Beijing 100080 China

In this paper, firstly, the proper function space is chosen, and the proper expression of the operators is introduced such that the complex large-scale atmospheric motion equations can be described by a simple and abstract equation, by which the definition of the weak solution of the atmospheric equations is made. Secondly, the existence of the weak solution for the atmospheric equations and the steady state equations is proved by using the Galerkin method. The existence of the non-empty global attractors for the atmospheric equations in the sense of the Chepyzhov-Vishik’s definition is obtained by constructing a trajectory attractor set of the atmospheric motion equations. The result obtained here is the foundation for studying the topological structure and the dynamical behavior of the atmosphere attractors. Moreover, the methods used here are also valid for studying the other atmospheric motion models.

关键词： atmosphere equations, weak solution, trajectory attractor, global attractor, equilibrium.

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LONG TIME ASYMPTOTIC BEHAVIOR OF SOLUTION OF DIFFERENCE SCHEME FOR A SEMILINEAR PARABOLIC EQUATION (Ⅱ)

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Journal of computational Mathematics 1998年第5期16卷 571-576页

作者： Hui Feng(Shenzhen university Normal college, Shenzhen 518060,{2. Laboratorp of computational Physics, Institute of Applied Physics and computational Mathematics,P.O.Box 8009, beijing 100088,{2. )Long-jnn Shen(laboratory of computational Physics, In Shenzhen Univ Wormal Coll Shenzhen 518060 Peoples R China Inst Appl Phys & Computat Math Lab Computat Phys Beijing 100088 Peoples R China

In this paper we prove the solution of explicit difference scheme for a semilinear parabolic equation converges to the solution of difference scheme for the relevant nonlinear stationary problem as t→∞. For nonlinear parabolic problem, we obtain the long time asymptotic behavior of its discrete solution which is analogous to that of its continuous solution. For simplicity, we discuss one-dimensional problem.

关键词： Asymptotic behavior Explicit difference scheme Semilinear parabolic equation.

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Existence of solutions for the dynamic equation of ferrimagnets

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Progress in Natural Science:Materials International 2007年第11期17卷 1279-1283页

作者： Zeng Ming1, Guo Boling2.and Cheng Caozong1(1. college of Applied Sciences, beijing {2. of Technology, beijing 10002., china 2. Center for Nonlinear Studies, Institute of Applied Physics and computational Mathematics, beijing 100088, china) college of Applied Sciences Beijing University of Technology Beijing 100022 China Center for Nonlinear Studies Institute of Applied Physics and Computational Mathematics Beijing 100088 China

Ferrimagnet is a kind of basic and important multi-sublattice magnet material. It has attracted more and more attention of physicists and mathematicians. Many results of solitons and numerical computations on this topic have appeared. In this article, the dynamic equation for an isotropic ferrimagnet with two non-equivalent sublattices is studied, existence of weak solutions in multi dimension case is proved through the penalized method, the uniqueness and smoothness of the solution in one dimension case are also obtained by the relation between this equation and hyperbolic equation.

关键词： ferrimagnet weak solutions penalized method finite difference method

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Relationship between nano-scale deformation of coal structure and metamorphic-deformed environments

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Science Bulletin 2005年第16期 114-125页

作者： JU Yiwen1, 2. JIANG Bo1, HOU Quanlin2.& WANG Guiliang1 1. college of Mineral Resource and geosciences,{2. university of Mining and Technology, Xuzhou 2.1008,{2. 2. laboratory of computational geodynamics, college of geosciences, graduate university of Chinese Academy of Sciences, beijing 100049,{2.

There is a more consanguineous relation be-tween nano-scale deformation of coal structure and meta-morphic-deformed environment. In different metamor-phic-deformed environments, deformation in the coal struc-ture can occur not only at micro-scale, but also at nano-scale, and even leads to the change of molecular structure and nano-scale pore (<100 nm) structure. The latter is the main space absorbing coalbed methane. Through X-ray diffraction (XRD) and liquid–nitrogen absorption methods, the charac-teristics of macromolecular and nano-scale pore structures of coals in different metamorphic-deformed environments and deformational series of coals have been studied. By combin-ing with high-resolution transmission electron microcopy (HRTEM), the macromolecular and nano-scale pore struc-tures are also directly observed. These results demonstrate that the stacking Lc of the macromolecular BSU in tectonic coals increases quickly from the metamorphic-deformed environment of low rank coals to that of high rank coals. For different deformed tectonic coals, in the same metamor-phic-deformed environment, the difference of Lc is obvious. These changes reflect chiefly the difference of different tem-perature and stress effect of nano-scale deformation in tec-tonic coals. The factor of temperature plays a greater role in the increase of macromolecular structure parameters Lc, the influence of stress factor is also important. With the stress strengthening, Lc shows an increasing trend, and La /Lc shows a decreasing trend. Therefore, Lc and La /Lc can be used as the indicator of nano-scale deformation degree of tectonic coals. With increasing temperature and pressure, especially oriented stress, the orientation of molecular structure be-comes stronger, and ordering degree of C-nets and the ar-rangement of BSU are obviously enhanced. For the deforma-tion of nano-scale pore structure, in the same metamor-phic-deformed environment, along with the strengthening of stress, the ratio of m

关键词： coal structure nano-scale deformation macromolecular structure pore structure metamorphic-deformed environment.

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