土石混合体细观结构力学及其边坡稳定性研究

Soil-rock mixture (S-RM) refers to one extremely uneven loose rock and soil materials system with certain stone content. Its formation has started since Quaternary and it is composed of block stone, fine grained soil and pore with certain project scale and high strength. S-RM has extensive distribution in nature, especially in southwest China where the geotectonic background is complicated, the fracture activity is developed and the geomorphological characteristics of high mountain and steep gorge area are protuberant. This kind of complicated geologic body has developed wider in these areas. S-RM has obvious difference with the general soil or rock (rock mass) in physical and mechanical properties because its two components-“soil” and “rock-block” has extreme differences in physical and mechanical properties. The proposition of S-RM and its deep research are needed in the modern engineering construction. It is also the necessity in the modern development of rock and soil mechanics. The dissertation starts from the meso-structural characteristics of soil-rock and takes a systematic research on its meso-structural mechanics, deformation and failure mechanism and the stability of S-RM slope. In summary, it achieves the following innovative results and conclusions. There are various views on the conception of S-RM and its classification system. Based on the large number of field tests, the dissertation makes the conception and classification of S-RM more systematic. It systematically proposed the conception of meso-structural mechanics of S-RM. Thus the dissertation has laid a foundation for its deep study. With the fast development of the computer technology and digital image processing theory, digital image processing technology has been successfully applied in many fields and provided reliable technology support for the quantitative description of the structural characteristics of S-RM. Based on the digital image processing technology, the dissertation systematically proposes and developed the quantitative analysis method and quantitative index for the meso-structure of S-RM. The results indicate that the meso-structure such as its internal soil-rock granularity composition, the soil-rock shape and the orientability has obvious self-organization in the macro statistical level. The dissertation makes a systematic research on the physical mechanical properties, deformation and failure mechanism of S-RM based on large field test. It proposes the field test for the underwater S-RM and deduces the 3D data analysis method of in-situ horizontal push-shear test. The result indicates that S-RM has significant phenomenon of shear dilatancy in the shearing process, and its dilatancy will be more obvious with the increased proportion of rock or the decreased confining pressure. The proportion of rock has great effect on the strength of S-RM and rock-block, especially the spatial position of particles with comparatively big size has great effect on the shape and spatial position of the sample shear zone. The dissertation makes some improvements in the single ring infiltration test equipment and its application on the permeability of S-RM. The results indicate that the increasing of rock-block would make it more difficult for the soil to fill in the vacuity between the rock-block and the proportion would increase which would result in the increased permeability coefficient. The dissertation builds the real meso-structural model of S-RM based on the digital image processing technology. By using geometric reconstruction technology, it transfers the structural mode represented by Binary image into CAD format, which makes it possible to introduce the present finite element analysis software to take research on numerical experimental investigation. It systematically realizes leaping research from the image，geometric mode, to meso-structural mechanics numerical experiment. By using this method, the dissertation takes large scale numerical direct-shear test on the section of S-RM. From the mesoscopic perspective, it reveals three extended modes about the shear failure plane of S-RM. Based on the real meso-structural model and by using the numerical simulation test, the character and mechanics of seepage failure of S-RM are studied. At the same time, it builds the real structural mode of the slope based on the analysis about the slope crosssection of S-RM. By using the strength reduction method, it takes the research on the stability of S-RM and gets great achievements. The three dimensional geometric reconstruction technology of rock block is proposed, which provides technical support for the reconstruction of the 3D meso-structural model of S-RM. For the first time, the dissertation builds the stochastic structure model of two-dimensional and three-dimensional polygons or polyhedron based on the stochastic simulation technique of monte carlo method. It breaks the traditional research which restricted to the random generation method of regular polygon and develops the relevant software system (R-SRM2D/3D) which has great effect on meso-structural mechanics of S-RM. Based on the R-SRM software system which randomly generates the meso-structural mode of S-RM according to the different meso-structural characteristics, the dissertation takes a series of research on numerical test of dual axis and real three-axis, systematically analyses the meso destroy system, the effects of meso-structural characteristics such as on the stone content, size composition and block directionality on the macro mechanical behavior and macro-permeability. Then it proposes the expression of the upper and lower limit for the macro-permeability coefficient of the inhomogeneous geomaterials, such as S-RM. By using the strength reduction FEM, the dissertation takes the research on the stability of the slope structural mode of the randomly formed S-RM. The results indicate that generally, the stability coefficient of S-RM slope increases with the increasing of stone content; on the condition of the same stone content, the stability coefficient of slope will be different with different size composition and the space position of large block at the internal slop has great effect on the stability. It suggests that meso-structural characteristics, especially the space position of large block should be considered when analyzing the stability of this kind of slope and strengthening design. Taking Xiazanri S-RM slope as an example, the dissertation proposes the fine modeling of complicated geologic body based on reverse engineering and the generation method of FLAC3D mode. It resolves the bottleneck problem about building the fine structural mode of three-dimensional geological body. By using FLAC3D, the dissertation takes research on the seepage field and the displacement field of Xiazanri S-RM slope in the process of reservoir water level rising and decreasing. By using strength reduction method, it analyses the three-dimension stability in the process of reservoir water level rising and decreasing. The results indicate that the slope stability firstly show downward trend in the process of reservoir water level rising and then rebound to increase; the sudden drawdown of reservoir water level has great effect on the slope stability and this effect will increase with the sudden drawdown amplitude rising. Based on the result of the rock block size analysis of S-RM, and using R-SRM2D the stochastic structure model of Xiazanri S-RM slope is built. By using strength reduction method, the stability of the stochastic structure model is analysis, the results shows that the stability factor increases significantly after considering the block.

井间地震技术研究和应用

Cross well seismic technique is a new type of geophysical method, which observes the seismic wave of the geologic body by placing both the source and receiver in the wells. By applying this method, it averted the absorption to high-frequency component of seismic signal caused by low weathering layers, thus, an extremely high-resolution seismic signal can be acquired. And extremely fine image of cross well formations, structure, and reservoir can be achieved as well. An integrated research is conducted to the high-frequency S-wave and P-wave data and some other data to determine the small faults, small structure and resolving the issues concerning the thin bed and reservoir's connectivity, fluid distribution, steam injection and fracture. This method connects the high-resolution surface seismic, logging and reservoir engineering. In this paper, based on the E & P situation in the oilfield and the theory of geophysical exploration, a research is conducted on cross well seismic technology in general and its important issues in cross well seismic technology in particular. A technological series of integrated field acquisition, data processing and interpretation and its integrated application research were developed and this new method can be applied to oilfield development and optimizing oilfield development scheme. The contents and results in this paper are as listed follows: An overview was given on the status quo and development of the cross well seismic method and problems concerning the cross well seismic technology and the difference in cross well seismic technology between China and international levels; And an analysis and comparison are given on foreign-made field data acquisition systems for cross-well seismic and pointed out the pros and cons of the field systems manufactured by these two foreign companies and this is highly valuable to import foreign-made cross well seismic field acquisition system for China. After analyses were conducted to the geometry design and field data for the cross well seismic method, a common wave field time-depth curve equation was derived and three types of pipe waves were discovered for the first time. Then, a research was conducted on the mechanism for its generation. Based on the wave field separation theory for cross well seismic method, we believe that different type of wave fields in different gather domain has different attributes characteristics, multiple methods (for instance, F-K filtering and median filtering) were applied in eliminating and suppressing the cross well disturbances and successfully separated the upgoing and downgoing waves and a satisfactory result has been achieved. In the area of wave field numerical simulation for cross well seismic method, a analysis was conducted on conventional ray tracing method and its shortcomings and proposed a minimum travel time ray tracing method based on Feraiat theory in this paper. This method is not only has high-speed calculation, but also with no rays enter into "dead end" or "blinded spot" after numerous iterations and it is become more adequate for complex velocity model. This is first time that the travel time interpolation has been brought into consideration, a dynamic ray tracing method with shortest possible path has been developed for the first arrivals of any complex mediums, such as transmission, diffraction and refraction, etc and eliminated the limitation for only traveling from one node to another node and increases the calculation accuracy for minimum travel time and ray tracing path and derives solution and corresponding edge conditions to the fourth-order differential sonic wave equation. The final step is to calculate cross well seismic synthetics for given source and receivers from multiple geological bodies. Thus, real cross-well seismic wave field can be recognized through scientific means and provides important foundation to guide the cross well seismic field geometry designing. A velocity tomographic inversion of the least square conjugated gradient method was developed for cross well seismic velocity tomopgraphic inversion and a modification has been made to object function of the old high frequency ray tracing method and put forward a thin bed oriented model for finite frequency velocity tomographic inversion method. As the theory model and results demonstrates that the method is simple and effective and is very important in seismic ray tomographic imaging for the complex geological body. Based on the characteristics of the cross well seismic algorithm, a processing flow for cross well seismic data processing has been built and optimized and applied to the production, a good section of velocity tomopgrphic inversion and cross well reflection imaging has been acquired. The cross well seismic data is acquired from the depth domain and how to interprets the depth domain data and retrieve the attributes is a brand new subject. After research was conducted on synthetics and trace integration from depth domain for the cross well seismic data interpretation, first of all, a research was conducted on logging constraint wave impedance of cross well seismic data and initially set up cross well seismic data interpretation flows. After it applied and interpreted to the cross well seismic data and a good geological results has been achieved in velocity tomographic inversion and reflection depth imaging and a lot of difficult problems for oilfield development has been resolved. This powerful, new method is good for oilfield development scheme optimization and increasing EOR. Based on conventional reservoir geological model building from logging data, a new method is also discussed on constraining the accuracy of reservoir geological model by applying the high resolution cross well seismic data and it has applied to Fan 124 project and a good results has been achieved which it presents a bight future for the cross well seismic technology.

Surface structure and reaction performances of highly dispersed and supported bimetallic catalysts

Surface structures of Pt-Sn and Pt-Fe bimetallic catalysts have been investigated by means of Mossbauer spectroscopy, Pt-L-III -edge EXAFS and H-2-adsorption. The results showed that the second component, such as Sn or Fe, remained in the oxidative state and dispersed on the gamma-Al2O3 surface after reduction, while Pt was completely reduced to the metallic state and dispersed on either the metal oxide surface or the gamma-Al2O3 surface. By correlating the distribution of Pt species on different surfaces with the reaction and adsorption performances, it is proposed that two kinds of active Pt species existed on the surfaces of both catalysts, named M-1 sites and M-2 sites. M-1 sites are the sites in which Pr directly anchored on the gamma-Al2O3 surface, while M-2 sites are those in which Pt anchored on the metal oxide surface. M-1 sites are favorable for low temperature H-2 adsorption, and responsible for the hydrogenolysis reaction and carbon deposition, while M-2 sites which adsorb more H-2 at higher temperature, are more resistant to the deactivation due to less carbon deposition, and provide major contribution to the dehydrogenation reaction.

The Perceptual Buildup of Three-Dimensional Structure from Motion

We present psychophysical experiments that measure the accuracy of perceived 3D structure derived from relative image motion. The experiments are motivated by Ullman's incremental rigidity scheme, which builds up 3D structure incrementally over an extended time. Our main conclusions are: first, the human system derives an accurate model of the relative depths of moving points, even in the presence of noise; second, the accuracy of 3D structure improves with time, eventually reaching a plateau; and third, the 3D structure currently perceived depends on previous 3D models. Through computer simulations, we relate the psychophysical observations to the behavior of Ullman's model.

The structure of nano sized poorly-crystalline iron oxy-hydroxides

In this thesis the structures of three nano sized poorly-crystalline iron oxy-hydroxides, feroxyhyte, ferrihydrite and schwertmannite, are studied and analyzed with the aim of clarifying some dubious structural features. The widely used Rietveld re�nement and EXAFS analysis are employed in order to address the consistency of the structural models proposed for these materials, one of which, feroxyhyte, is suggested in this thesis. Furthermore, a new computer program exploiting the Reverse Monte Carlo algorithm and the Debye Scattering Equation is presented and used in order to analyze the elusive structures of these iron oxy-hydroxides.

Application of Inductive Logic Programming to Structure-Based Drug Design

Enot, D. and King, R. D. (2003) Application of Inductive Logic Programming to Structure-Based Drug Design. 7th European Conference on Principles and Practice of Knowledge Discovery in Databases (PKDD '03). Springer LNAI 2838 p156-167

Locating hexagonal and cubic phases in boron nitride using wavelength-selective optically detected x-ray absorption spectroscopy

Locating hexagonal and cubic phases in boron nitride using wavelength-selective optically detected x-ray absorption spectroscopy, D.A. Evans, A.R. Vearey-Roberts, N.R.J. Poolton Appl Phys Lett 89, (2006) 161107

Centres and limit cycles for an extended Kukles system

Hill, Joe M., Lloyd, Noel G., Pearson, Jane M., 'Centres and limit cycles for an extended Kukles system', Electronic Journal of Differential Equations, Vol. 2007(2007), No. 119, pp. 1-23.

Broadband optical cavity absorption spectroscopy in the near-ultraviolet: applications in atmospheric chemistry

A novel spectroscopic method, incoherent broadband cavity enhanced absorption spectroscopy (IBBCEAS), has been modified and extended to measure absorption spectra in the near-ultraviolet with high sensitivity. The near-ultraviolet region extends from 300 to 400 nm and is particularly important in tropospheric photochemistry; absorption of near-UV light can also be exploited for sensitive trace gas measurements of several key atmospheric constituents. In this work, several IBBCEAS instruments were developed to record reference spectra and to measure trace gas concentrations in the laboratory and field. An IBBCEAS instrument was coupled to a flow cell for measuring very weak absorption spectra between 335 and 375 nm. The instrument was validated against the literature absorption spectrum of SO2. Using the instrument, we report new absorption cross-sections of O3, acetone, 2-butanone, and 2-pentanone in this spectral region, where literature data diverge considerably owing to the extremely weak absorption. The instrument was also applied to quantifying low concentrations of the short-lived radical, BrO, in the presence of strong absorption by Br2 and O3. A different IBBCEAS system was adapted to a 4 m3 atmosphere simulation chamber to record the absorption cross-sections of several low vapour pressure compounds, which are otherwise difficult to measure. Absorption cross-sections of benzaldehyde and the more volatile alkyl nitrites agree well with previous spectra; on this basis, the cross-sections of several nitrophenols are reported for the first time. In addition, the instrument was also used to study the optical properties of secondary organic aerosol formed following the photooxidation of isoprene. An extractive IBBCEAS instrument was developed for detecting HONO and NO2 and had a sensitivity of about 10-9 cm-1. This instrument participated in a major international intercomparison of HONO and NO2 measurements held in the EUPHORE simulation chamber in Valencia, Spain, and results from that campaign are also reported here.

Dilute nitride semiconductors : band structure, scattering and high field transport

The substitution of a small fraction x of nitrogen atoms, for the group V elements in conventional III-V semiconductors such as GaAs and GaSb strongly perturbs the conduction band of the host semiconductor. In this thesis we investigate the effects of nitrogen states on the band dispersion, carrier scattering and mobility of dilute nitride alloys. In the supercell model we solve the single particle Hamiltonian for a very large supercell containing randomly placed nitrogen. This model predicts a gap in the density of states of GaNxAs1−x, where this gap is filled in the Green’s function model. Therefore we develop a self-consistent Green’s function (SCGF) approach, which provides excellent agreement with supercell calculations and reveals a gap in the DOS, in contrast with the results of previous non-self-consistent Green’s function calculations. However, including the distribution of N states destroys this gap, as seen in experiment. We then examine the high field transport of carriers by solving the steadystate Boltzmann transport equation and find that it is necessary to include the full distribution of N levels in order to account for the small, low-field mobility and the absence of a negative differential velocity regime observed experimentally with increasing x. Overall the results account well for a wide range of experimental data. We also investigate the band structure, scattering and mobility of carriers by finding the poles of the SCGF, which gives lower carrier mobility for GaNxAs1−x, compared to those already calculated, in better agreement with experiments. The calculated optical absorption spectra for InyGa1−yNxAs1−x and GaNxSb1−x using the SCGF agree well with the experimental data, confirming the validity of this approach to study the band structure of these materials.

Investigation of the shape of the R(0) absorption line in ν3, N2O recorded from an axisymmetric supersonic free jet expansion

The hydrodynamic structure of an axisymmetric supersonic expansion can be regarded as a series of concentric divergent cones, with decreasing particle densities as the cone angle increases. Different groups of molecules therefore contribute to high-resolution absorption line shapes when optically probing the expansion in a direction perpendicular to the jet axis. These groups are distinguished by the cone angle, inducing a specific Doppler shift, and by the particle density, contributing a specific weight to the absorption intensity. As a result different broader line profiles are observed compared to room temperature spectra. This effect is investigated here selecting as the working example the R(0), ν3 absorption line in N2O recorded using a Fourier transform interferometer. Independent impact pressure and quadrupole mass spectrometric measurements are performed leading to two complementary maps of the expansion, allowing the recorded absorption line shape to be quantitatively modeled. © 2006 Elsevier Ltd. All rights reserved.

Predicting the frequency dispersion of electronic hyperpolarizabilities on the basis of absorption data and thomas-kuhn sum rules

Successfully predicting the frequency dispersion of electronic hyperpolarizabilities is an unresolved challenge in materials science and electronic structure theory. We show that the generalized Thomas-Kuhn sum rules, combined with linear absorption data and measured hyperpolarizability at one or two frequencies, may be used to predict the entire frequency-dependent electronic hyperpolarizability spectrum. This treatment includes two- and three-level contributions that arise from the lowest two or three excited electronic state manifolds, enabling us to describe the unusual observed frequency dispersion of the dynamic hyperpolarizability in high oscillator strength M-PZn chromophores, where (porphinato)zinc(II) (PZn) and metal(II)polypyridyl (M) units are connected via an ethyne unit that aligns the high oscillator strength transition dipoles of these components in a head-to-tail arrangement. We show that some of these structures can possess very similar linear absorption spectra yet manifest dramatically different frequency dependent hyperpolarizabilities, because of three-level contributions that result from excited state-to excited state transition dipoles among charge polarized states. Importantly, this approach provides a quantitative scheme to use linear optical absorption spectra and very limited individual hyperpolarizability measurements to predict the entire frequency-dependent nonlinear optical response. Copyright © 2010 American Chemical Society.

Magnetic Resonance Imaging Biomarkers of Renal Structure and Function

The kidney's major role in filtration depends on its high blood flow, concentrating mechanisms, and biochemical activation. The kidney's greatest strengths also lead to vulnerability for drug-induced nephrotoxicity and other renal injuries. The current standard to diagnose renal injuries is with a percutaneous renal biopsy, which can be biased and insufficient. In one particular case, biopsy of a kidney with renal cell carcinoma can actually initiate metastasis. Tools that are sensitive and specific to detect renal disease early are essential, especially noninvasive diagnostic imaging. While other imaging modalities (ultrasound and x-ray/CT) have their unique advantages and disadvantages, MRI has superb soft tissue contrast without ionizing radiation. More importantly, there is a richness of contrast mechanisms in MRI that has yet to be explored and applied to study renal disease.

The focus of this work is to advance preclinical imaging tools to study the structure and function of the renal system. Studies were conducted in normal and disease models to understand general renal physiology as well as pathophysiology. This dissertation is separated into two parts--the first is the identification of renal architecture with ex vivo MRI; the second is the characterization of renal dynamics and function with in vivo MRI. High resolution ex vivo imaging provided several opportunities including: 1) identification of fine renal structures, 2) implementation of different contrast mechanisms with several pulse sequences and reconstruction methods, 3) development of image-processing tools to extract regions and structures, and 4) understanding of the nephron structures that create MR contrast and that are important for renal physiology. The ex vivo studies allowed for understanding and translation to in vivo studies. While the structure of this dissertation is organized by individual projects, the goal is singular: to develop magnetic resonance imaging biomarkers for renal system.

The work presented here includes three ex vivo studies and two in vivo studies:

1) Magnetic resonance histology of age-related nephropathy in sprague dawley.

2) Quantitative susceptibility mapping of kidney inflammation and fibrosis in type 1 angiotensin receptor-deficient mice.

3) Susceptibility tensor imaging of the kidney and its microstructural underpinnings.

4) 4D MRI of renal function in the developing mouse.

5) 4D MRI of polycystic kidneys in rapamycin treated Glis3-deficient mice.

Low temperature crystal structure of N-Acetyl-L-Glutamic acid: comparison with the DFT calculated structure

N-acetyl-L-glutamic acid, crystallizes in the orthorhombic space group P2(1)2(1)2(1) with unit cell parameters a = 4.747(3), b = 12.852(7), c = 13.906(7) Å, V = 848.5(8) Å3, Z = 4, density (calculated) = 1.481 mg/m3, linear absorption coefficient 0.127 mm−1. The crystal structure determination was carried out with MoKalpha X-ray data measured with liquid nitrogen cooling at 100(2) K temperature. In the final refinement cycle the data/restraints/parameter ratios were 1,691/0/131; goodness-of-fit on F(2) = 1.122. Final R indices for [I > 2sigma(I)] were R1 = 0.0430, wR2 = 0.0878 and R indices (all data) R1 = 0.0473, wR2 = 0.0894. The largest electron density difference peak and hole were 0.207 and −0.154 eÅ(−3). Details of the molecular geometry are discussed and compared with a model DFT structure calculated using Gaussian 98.

The global distribution of phytoplankton size spectrum and size classes from their light-absorption spectra derived from satellite data

The absorption spectra of phytoplankton in the visible domain hold implicit information on the phytoplankton community structure. Here we use this information to retrieve quantitative information on phytoplankton size structure by developing a novel method to compute the exponent of an assumed power-law for their particle-size spectrum. This quantity, in combination with total chlorophyll-a concentration, can be used to estimate the fractional concentration of chlorophyll in any arbitrarily-defined size class of phytoplankton. We further define and derive expressions for two distinct measures of cell size of mixed. populations, namely, the average spherical diameter of a bio-optically equivalent homogeneous population of cells of equal size, and the average equivalent spherical diameter of a population of cells that follow a power-law particle-size distribution. The method relies on measurements of two quantities of a phytoplankton sample: the concentration of chlorophyll-a, which is an operational index of phytoplankton biomass, and the total absorption coefficient of phytoplankton in the red peak of visible spectrum at 676 nm. A sensitivity analysis confirms that the relative errors in the estimates of the exponent of particle size spectra are reasonably low. The exponents of phytoplankton size spectra, estimated for a large set of in situ data from a variety of oceanic environments (similar to 2400 samples), are within a reasonable range; and the estimated fractions of chlorophyll in pico-, nano- and micro-phytoplankton are generally consistent with those obtained by an independent, indirect method based on diagnostic pigments determined using high-performance liquid chromatography. The estimates of cell size for in situ samples dominated by different phytoplankton types (diatoms, prymnesiophytes, Prochlorococcus, other cyanobacteria and green algae) yield nominal sizes consistent with the taxonomic classification. To estimate the same quantities from satellite-derived ocean-colour data, we combine our method with algorithms for obtaining inherent optical properties from remote sensing. The spatial distribution of the size-spectrum exponent and the chlorophyll fractions of pico-, nano- and micro-phytoplankton estimated from satellite remote sensing are in agreement with the current understanding of the biogeography of phytoplankton functional types in the global oceans. This study contributes to our understanding of the distribution and time evolution of phytoplankton size structure in the global oceans.