Bond-charge calculation of electro-optic coefficients of diatomic crystals

A theoretical method has been set up to calculate the electrooptic tensor coefficients r(ijk), based on the Phillips-Van Vechten (PV) dielectric theory and the Levine bond charge model, Starting from the crystal structure data and only introducing the experimentally determined optical permittivity and dielectric constant, the electro-optic tensor coefficients r(ijk) can be quantitatively predicted, The theoretical calculations are in good agreement with experiment in the case of zinc blende and wurtzite crystals, For zinc blende crystals, the effects of covalent radii on the linear electro-optic coefficients are discussed. (C) 1997 Academic Press.

Nonlinearity of the complex crystals with O-H bond

A systematic and quantitative research on the structure-property correlation has been carried out in KH2PO4 (KDP), NH4H2PO4 (ADP) and HIO3, based on the dielectric theory of complex crystals and the Levine bond charge model. We, for the first time, successfully solve the problems in the calculation of the nonlinearities of the complex inorganic nonlinear optical (NLO) crystals, which have O-H bonds in their crystal structures. We do this by introducing the bond-valence equation we have set up, calculating the nonlinear optical tensor coefficients d(ijk) of these three compounds, quantitatively determining the contributions of each type of bond to the total second-order NLO tensor coefficient (d(ijk)) of the crystal, and presenting the bond parameters and the linear properties of each kind of bond. For the first time, the NLO coefficient d(36) for ADP was calculated. All calculated results are in good agreement with experimental data. We found that O-H bonds also play an important role in these crystals, except for in the important anionic groups (PO4 groups and IO3 groups). All the results thus calculated show that our method is useful in evaluating the NLO coefficients of the inorganic NLO crystals containing O-H bonds in their structures, and should be a useful tool toward the future research into new nonlinear optical materials of this kind.

Calculation of the nonlinear optical coefficient of the NdAl3(BO3)(4) crystal

For the first time, we present the calculation of the nonlinear optical coefficient of the NdAl3(BO3)(4) (NAB) crystal from a systematic and quantitative standpoint. Based on the dielectric theory of complex crystals and the Levine bond charge model, the method of calculation of the second-order nonlinear optical tensor coefficients of complex crystals has been given systematically. The chemical bond parameters and linear and nonlinear susceptibilities of the NAB crystal have been calculated in detail, and the calculated value of d(11)(NAB) is -5.81 x 10(-9) esu, which agrees with the measured value of 4.06 x 10(-9) esu.

Dielectric response of spherically anisotropic graded piezoelectric composites

A graded piezoelectric composite consisting of a spherically anisotropic graded piezoelectric inclusion imbedded in an infinite nonpiezoelectric matrix, with the physical properties of the graded spherical inclusion having a power-law profile with respect to the radial variable r, is studied theoretically. Under an external uniform electric field, the electric displacement field and the elastic stress tensor field of this spherically anisotropic graded piezoelectric composite are derived exactly by means of displacement separation technique, based on the governing equations in the dilute limit. A piezoelectric response mechanism, in which the effective piezoelectric response vanishes along the z direction (or x,y directions), is revealed in this kind of graded piezoelectric composites. Furthermore, it is found that the effective dielectric constant decreases (or increases) with the volume fraction p of the inclusions if the exponent parameter k of the grading profile is larger (or smaller) than a critical value. (C) 2007 American Institute of Physics.

仿象鼻并串联机构回避障碍“钻洞”的研究

研究了一种高冗余自由度并串联机构回避障碍的算法问题，并实现了运动仿真，核算法应用了优先顺位的理论，利用旋转张量法，对杆长随时间变化的高冗余自由度操作臂实现了变臂长的避障规划，并在ＣＡＤ工作站上完成了回避障碍钻洞的运动仿真，获得了满意的结果。国家自然科学基金

一种基于三焦点张量的度量重建方法

从二维图像恢复物体的三维结构是计算视觉的一个重要研究方向。通过研究三视图之间的对极几何,提出了一种基于三线性关系的度量重建方法。不需要对相机的运动或者景物结构施加任何约束,使用直接重建方法,利用三焦点张量恢复场景的度量重构。仿真实验和真实图像实验表明,该度量重建方法具有很高的准确性和实用性。

海底金属矿床充水条件及矿坑突水的断层效应研究

The Xinli mine area of Sanshandao mine is adjacent to the Bohai Sea and its main exploitable ore deposit occurs in the undersea rock mass. The mine is the biggest undersea gold mine of China after production. The mine area faces a latent danger of water bursting, even sudden seawater inrush. There is no mature experience in undersea mining in China so far. The vein ore deposit is located in the lower wall of a fault; its possible groundwater sources mainly include bittern, Quaternary pore water and modern seawater. To ensure the safety of undersea mining, to survey the flooding conditions of the ore deposit using proper measures and study the potential seawater inrush pattern are the key technical problems. With the Xinli mine area as a case study, the engineering geological conditions of the Xinli mine area are surveyed in situ, the regional structural pattern and rock mass framework characteristics are found out, the distribution of the structural planes are modeled by a Monte Carlo method and the connectivity coefficients of rock mass structural planes are calculated. The regional hydro-geological conditions are analyzed and the in-situ hydro-geological investigation and sampling are performed in detail, the hydrochemistry and isotopes testing and groundwater dynamic monitoring are conducted, the recharge, runoff, discharge conditions are specified and the sources of flooding are distinguished. Some indices are selected from the testing results to calculate the proportion of each source in some water discharge points and in the whole water discharge of the Xinli mine area. The temporal and spatial variations of each water source of the whole ore deposit flooding are analyzed. According to the special project conditions in the Xinli mine area, the permeability coefficient tensors of the rock mass in Xinli mine area are calculated based on a fracture geometry measurement method, in terms of the connectivity and a few hydraulic testing results, a modified synthetic permeability coefficient are calculated. The hydro-geological conceptual and mathematical model are established，the water yield of mine is predicted using Visual Modflow code. The spreading law of surrounding rock mass deformation and secondary stress are studied by numerical analysis; the intrinsic mechanism of the faults slip caused by the excavation of ore deposit is analyzed. The results show that the development of surrounding rock mass deformation and secondary stress of vein ore deposit in the lower wall of a fault, is different from that in a thick-big ore deposit. The secondary stress caused by the excavation of vein ore deposit in the lower wall of a fault, is mainly distributed in the upper wall of the fault, one surface subsidence center will occur. The influences of fault on the rock mass movement, secondary stress and hydro-geological structures are analyzed; the secondary stress is blocked by the fault and the tensile stress concentration occurs in the rock mass near the fault, the original water blocking structure is destructed and the permeable structure is reconstructed, the primary structural planes begin to expand and newborn fissures occur, so the permeability of the original permeable structure is greatly enhanced, so the water bursting will probably occur. Based on this knowledge, the possible water inrush pattern and position of the Xinli mine area are predicted. Some computer programs are developed using object-oriented design method under the development platform Visual Studio.Net. These programs include a Monte Carlo simulation procedure, a joint diagrammatizing procedure, a structural planes connectivity coefficient calculating procedure, a permeability tensor calculating procedure, a water chemical formula edit and water source fixture conditions calculating procedure. A new computer mapping algorithm of joint iso-density diagram is raised. Based on the powerful spatial data management and icon functions of Geographic Information System, the pit water discharge dynamic monitoring data management information systems are established with ArcView.

旋转轴对称介质中的qP波一阶射线追踪

Elastic anisotropy is a very common phenomenon in the Earth’s interior, especial for sedimentary rock as important gas and oil reservoirs. But in the processing and interpretation of seismic data, it is assumption that the media in the Earth’s interior is completely elastic and isotropic, and then the methods based on isotropy are used to deal with anisotropic seismic data, so it makes the seismic resolution lower and the error on images is caused. The research on seismic wave simulation technology can improve our understanding on the rules of seismic wave propagation in anisotropic media, and it can help us to resolve problems caused by anisotropy of media in the processing and interpretation of seismic data. So researching on weakly anisotropic media with rotated axis of symmetry, we study systematically the rules of seismic wave propagation in this kind of media, simulate the process with numerical calculation, and get the better research results. The first-order ray tracing (FORT) formulas of qP wave derived can adapt to every anisotropic media with arbitrary symmetry. The equations are considerably simpler than the exact ray tracing equations. The equations allow qP waves to be treated independently from qS waves, just as in isotropic media. They simplify considerably in media with higher symmetry anisotropy. In isotropic media, they reduce to the exact ray tracing equations. In contrast to other perturbation techniques used to trace rays in weakly anisotropic media, our approach does not require calculation of reference rays in a reference isotropic medium. The FORT-method rays are obtained directly. They are computationally more effective than standard ray tracing equations. Moreover the second-order travel time corrections formula derived can be used to reduce effectively the travel time error, and improve the accuracy of travel time calculation. The tensor transformation equations of weak-anisotropy parameters in media with rotated axis of symmetry derived from the Bond transformation equations resolve effectively the problems of coordinate transformation caused by the difference between global system of coordinate and local system of coordinate. The calculated weak-anisotropy parameters are completely suitable to the first-order ray tracing used in this paper, and their forms are simpler than those from the Bond transformation. In the numerical simulation on ray tracing, we use the travel time table calculation method that the locations of the grids in the ray beam are determined, then the travel times of the grids are obtained by the reversed distance interpolation. We get better calculation efficiency and accuracy by this method. Finally we verify the validity and adaptability of this method used in this paper with numerical simulations for the rotated TI model with anisotropy of about 8% and the rotated ORTHO model with anisotropy of about 20%. The results indicate that this method has better accuracy for both media with different types and different anisotropic strength. Keywords: weak-anisotropy, numerical simulation, ray tracing equation, travel time, inhomogeneity

复杂裂隙岩体统计断裂本构关系与变形参数研究

Rock mass is widely recognized as a kind of geologic body which consists of rock blocks and discontinuities. The deformation and failure of rock mass is not only determined by rock block，but also by discontinuity which is virtually more important. Mutual cutting and combination of discontinuities controlled mechanical property of rock mass. The complex cutting of discontinuities determine the intense anisotropy on mechanical property of rock mass，especially under the effect of ground stress. Engineering practice has show that the brittle failure of hard rock always occurs when its working stress is far lower than the yield strength and compressive strength，the failure always directly related to the fracture propagation of discontinuities. Fracture propagation of discontinuities is the virtue of hard rock’s failure. We can research the rock mass discontinuous mechanical properties precisely by the methods of statistical analysis of discontinuities and Fracture Mechanics. According to Superposition Principle in Fracture Mechanics，A Problem or C Problem could be chosen to research. Problem A mainly calculates the crack-tip stress field and displacement field on internal discontinuities by numerical method. Problem C calculate the crack-tip stress field and displacement field under the assumption of that the mainly rock mass stress field has been known. So the Problem C avoid the complex mutual interference of stress fields of discontinuities，which is called crack system problem in Fracture Mechanics. To solve Problem C, field test on stress field in the rock mass is needed. The linear Superposition of discontinuities strain energies are Scientific and Rational. The difference of Fracture Mechanics between rock mass and other materials can mostly expression as：other materials Fracture Mechanics mostly face the problem A，and can’t avoid multi-crack puzzle, while the Rock mass Fracture Mechanics answer to the Problem C. Problem C can avoid multi-discontinuities mutual interference puzzle via the ground stress test. On the basis of Problem C, Fracture Mechanics could be used conveniently in rock mass. The rock mass statistics fracture constitutive relations, which introduced in this article, are based on the Problem C and the Discontinuity Strain Energy linear superposition. This constitutive relation has several merits: first, it is physical constitutive relation rather than empirical; second, it is very fit to describe the rock mass anisotropy properties; third, it elaborates the exogenous factors such as ground stress. The rock mass statistics fracture constitutive relation is the available approach to answer to the physical, anisotropic and ground stress impacted rock mass problems. This article stand on the foundation of predecessor’s statistics fractures constitutive relation, and improved the discontinuity distributive function. This article had derived the limitation of negative exponential distribution in the course of regression analysis, and advocated to using the two parameter negative exponential distribution for instead. In order to solve the problems of two-dimension stability on engineering key cross-sectional view in rock mass, this article derived the rock mass planar flexibility tensor, and established rock mass two-dimension penetrate statistics fracture constitutive relation on the basis of penetrate fracture mechanics. Based on the crack tip plasticity research production of penetrate fracture, for example the Irwin plasticity equifinality crack, this article established the way to deal with the discontinuity stress singularity and plastic yielding problem at discontinuity tip. The research on deformation parameters is always the high light region of rock mass mechanics field. After the dam foundation excavation of XiaoWan hydroelectric power station, dam foundation rock mass upgrowthed a great deal of unload cracks, rock mass mechanical property gotten intricacy and strong anisotropy. The dam foundation rock mass mostly upgrowthed three group discontinuities： the decantation discontinuity, the steep pitch discontinuity, and the schistosity plane. Most of the discontinuities have got partial unload looseness. In accordance with ground stress field data, the dam foundation stress field greatly non-uniform, which felled under the great impaction of tectonic stress field, self-weight stress field, excavation geometric boundary condition, and excavation, unload. The discontinuity complexity and stress field heterogeneity, created the rock mass mechanical property of dam foundation intricacy and levity. The research on the rock mass mechanics, if not take every respected influencing factor into consideration as best as we can, major errors likely to be created. This article calculated the rock mass elastic modulus that after Xiao Wan hydroelectric power station dam foundation gutter excavation finished. The calculation region covered possession monolith of Xiao Wan concrete double-curvature arch dam. Different monolith were adopted the penetrate fracture statistics constitutive relation or bury fracture statistics constitutive relation selectively. Statistics fracture constitutive relation is fit for the intensity anisotropy and heterogeneity rock mass of Xiao Wan hydroelectric power station dam foundation. This article had contrastive analysis the statistics fracture constitutive relation result with the inclined plane load test actual measurement elastic modulus and RMR method estimated elastic modulus, and find that the three methods elastic modulus have got greatly comparability. So, the statistics fracture constitutive relations are qualified for trust. Generally speaking，this article had finished following works based on predecessors job: “Argumentation the C Problems of superposition principle in Fracture Mechanics, establish two-dimension penetrate statistics fracture constitutive relation of rock mass, argue the negative exponential distribution limitation and improve it, improve of the three-dimension berry statistics fracture constitutive relation of rock mass, discontinuity-tip plastic zone isoeffect calculation, calculate the rock mass elastic modulus on two-dimension cross-sectional view”. The whole research clue of this article inherited from the “statistics rock mass mechanics” of Wu Faquan（1992）.

中强地震震源的破裂过程

With the large developments of the seismic sources theory, computing technologies and survey instruments, we can model and rebuild the rupture process of earthquakes more realistically. On which earthquake sources' properties and tectonic activities law are realized more clearly. The researches in this domain have been done in this paper as follows. Based on the generalized ray method, expressions for displacement on the surface of a half-space due to an arbitrary oriented shear and tensile dislocation are also obtained. Kinematically, fault-normal motion is equivalent to tensile faulting. There is some evidence that such motion occurs in many earthquakes. The expressions for static displacements on the surface of a layered half-space due to static point moment tensor source are given in terms of the generalized reflection and transmission coefficient matrix method. The validity and precision of the new method is illustrated by comparing the consistency of our results with the analytical solution given by Okada's code employing same point source and homogenous half-space model. The computed vertical ground displacement using the moment tensor solution of the Lanchang_Gengma earthquake displays considerable difference with that of a double couple component .The effect of a soft layer at the top of the homogenous half-space on a shallow normal-faulting earthquake is also analyzed. Our results show that more seismic information would be obtained utilizing seismic moment tensor source and layered half-space model. The rupture process of 1999 Chi-Chi, Taiwan, earthquake investigated by using co-seismic surface displacement GPS observations and far field P-wave records. In according to the tectonic analysis and distributions of aftershock, we introduce a three-segment bending fault planes into our model. Both elastic half-space models and layered-earth models to invert the distribution of co-seismic slip along the Chi-Chi earthquake rupture. The results indicate that the shear slip model can not fit horizontal and vertical co-seismic displacements together, unless we add the fault-normal motion (tensile component) in inversions. And then, the Chi Chi earthquake rupture process was obtained by inversion using the seismograms and GPS observations. Fault normal motions determined by inversion, concentrate on the shallow northern bending fault from Fengyuan to Shuangji where the surface earthquake ruptures reveal more complexity and the developed flexural slip folding structures than the other portions of the rupture zone For understanding the perturbation of surface displacements caused by near-surface complex structures, We have taken a numeric test to synthesize and inverse the surface displacements for a pop-up structure that is composed of a main thrust and a back thrust. Our result indicates that the pop-up structure, the typical shallow complex rupture that occurred in the northern bending fault zone form Fengyuan to Shuangji, can be modeled better by a thrust fault added negative tensile component than by a simple thrust fault. We interpret the negative tensile distributions, that concentrate on the shallow northern bending fault from Fengyuan to Shuangji, as a the synthetic effect including the complexities of property and geometry of rupture. The earthquake rupture process also reveal the more spatial and temporal complexities form Fenyuan to SHuangji. According to the three-components teleseismic records, the S-wave velocity structure beneath the 59 teleseismic stations of Taiwan obtained by using the transform function method and the SA techniques. The integrated results, the 3D crustal structure of Taiwan reveal that the thickest part of crustal local in the western Central Range. This conclusion is consistent with the result form the Bouguer gravity anomaly. The orogenic evolution of Taiwan is young period, and the developing foot of Central Range dose not in static balancing. The crustal of Taiwan stays in the course of dynamic equilibrium. The rupture process of 2003)2,24,Jiashi, Xinjiang earthquake was estimated by the finite fault model using far field broadband P wave records of CDSN and IRIS. The results indicate that the earthquake focal is north dip trust fault including some left-lateral strike slip. The focal mechanism of this earthquake is different form that of earthquakes occurred in 1997 and 1998, but similar to that of 1996, Artux, Xinjiang earthquake. We interpreted that the earthquake caused trust fault due to the Tarim basin pushing northward and orogeny of Tianshan mountain. In the end, give a brief of future research subject: Building the Real Time Distribute System for rupture process of Large Earthquakes Based on Internet.

溶蚀岩体渗透水力学特性研究

Seepage control in karstic rock masses is one of the most important problems in domestic hydroelectric engineering and mining engineering as well as traffic engineering. At present permeability assessment and leakage analysis of multi-layer karstic rock masses are mainly qualitative, while seldom quantitative. Quantitative analyses of the permeability coefficient and seepage amount are conducted in this report, which will provide a theoretical basis for the study of seepage law and seepage control treatment of karstic rocks. Based on the field measurements in the horizontal grouting galleries of seepage control curtains on the left bank of the Shuibuya Hydropower Project on the Qingjiang river, a hydraulic model is established in this report, and the computation results will provide a scientific basis for optimization of grouting curtain engineering. Following issues are addressed in the report. (1) Based on the in-situ measurements of fissures and karstic cavities in grouting galleries, the characteristics of karstic rock mass is analyzed, and a stochastic structural model of karstic rock masses is set up, which will provide the basis for calculation of the permeability and leakage amount of karstic rock mass. (2) According to the distribution of the measured joints in the grouting galleries and the stochastic results obtained from the stochastic structural model of karstic rock mass between grouting galleries, a formula for computation of permeability tensor of fracturing system is set up, and a computation program is made with Visual Basic language. The computation results will be helpful for zoning of fissured rock masses and calculation of seepage amount as well as optimization of seepage control curtains. (3) Fractal theory is used to describe quantitatively the roughness of conduit walls of karstic systems and the sinuosity of karstic conduits. It is proposed that the roughness coefficient of kastic caves can be expressed by both fractal dimension Ds and Dr that represent respectively the extension sinuosity of karstic caves and the roughness of the conduit walls. The existing formula for calculating the seepage amount of karstic conduits is revised and programmed. The seepage amount of rock masses in the measured grouting galleries is estimated under the condition that no seepage control measures are taken before reservoir impoundment, and the results will be helpful for design and construction optimization of seepage curtains of the Shuibuya hydropower project. This report is one part of the subject "Karstic hydrogeology and the structural model and seepage hydraulics of karstic rock masses", a sub-program of "Study on seepage hydraulics of multi-layer karstic rock masses and its application in seepage control curtain engineering", which is financially supported by the Hubei Provincial key science and technology programme.

大地电磁测深反演方法对比与可视化及应用研究

At first, the article has an introduction of the basic theory of magnetotelluric and the essential methods of data acquisition and preprocessing. After that, the article introduces the methods together with their predominance of computing transfering function such as the Least-square method, the Remote-Reference method and the Robust method. The article also describe the cause and influence of static shift, and has a summarize of how to correct the static shift efficiently, then emphasizes on the theories of the popular impedance tensor decomposition methods as Phase-sensitivity method, Groom and Bailey method, General tensor-analyzed method and Mohr circle-analyzed method. The kernal step of magnetotelluric data-processing is inversion, which is also an important content of the article. Firstly, the article introduces the basic theories of both the popular one-dimensional inversion methods as Automod, Occam, Rhoplus, Bostick and Ipi2win and the two-dimensional inversion methods as Occam, Rebocc, Abie and Nlcg. Then, the article is focused on parallel-analysis of the applying advantage of each inversion method with practical models, and obtains meaningful conclusion. Visual program design of magnetotelluric data-processing is another kernal part of the article. The bypast visual program design of magnetotelluric data-processing is not satisfied and systemic, for example, the data-processing method is single, the data-management is not systemic, the data format is not uniform. The article bases the visual program design of magnetotelluric data-processing upon practicability, structurality, variety and extensibility, and adopts database technology and mixed language program design method; finally, a magnetotelluric data management and processing system that integrates database saving and fetching system, data-processing system and graphical displaying system. Finally, the article comes onto the magnetotelluric application.takeing the Tulargen Cu-Ni mining area in Xingjiang as the practical example, using the data-processing methods introduced before, the article has a detailed introduction of magnetotelluric data interpretation procedure.

Theory for determining alignment parameters of symmetric top molecule using (n+1) LIF

Expressions used for extracting the population and alignment parameters of a symmetric top molecule from (n + 1) laser-induced fluorescence (LIF) are derived by employing the tensor density matrix method. The molecular population and alignment are described by molecular state multipoles. The LIF intensity is a complex function of the initial molecular state multipoles, the dynamic factors, and the excitation-detection geometrical factors. The problem of how to extract the initial molecular state multipoles from (2 + 1) LIF, as an example, is discussed in detail. (C) 2000 American Institute of Physics. [S0021-9606(00)30744-9].

Molecular dynamics-based approach to study the anisotropic self-diffusion of molecules in porous materials with multiple cage types: Application to H-2 in losod

Van den Berg, A. W. C., Flikkema, E., Lems, S., Bromley, S. T., Jansen, J. C. (2006). Molecular dynamics-based approach to study the anisotropic self-diffusion of molecules in porous materials with multiple cage types: Application to H-2 in losod. Journal of physical chemistry b, 110 (1), 501-506. RAE2008

Nowe metody wyznaczania parametru asymetrii tensora gradientu pola elektrycznego w spektroskopii NQR i ich zastosowanie do badania układów nieuporządkowanych

Wydział Fizyki