The crystal structure and drawing-induced polymorphism in poly(aryl ether ketone)s .1. Poly(oxybiphenyl-4-4'-diyloxy-1,4-phenylenecarbonyl-1,3-phenylenecarbonyl-1,4-phenylene)

Crystal structure and polymorphism induced by uniaxial drawing of a poly(aryl ether ketone) [PEDEKmK] prepared from 1,3-bis(4-fluorobenzoyl)benzene and biphenyl-4,4'-diol have been investigated by means of transmission electron microscopy (TEM), electron diffraction (ED), wide-angle X-ray diffraction (WAXD), and differential scanning calorimetry (DSC) techniques. The melting and recrystallization process in the temperature range of 250-260 degrees C, far below the next melting temperature (306 degrees C), was identified and found to be responsible for the remarkable changes in lamellar morphology. Based on WAXD and ED patterns, it was found that crystal structure of isotropic-crystalline PEDEKmK obtained under different crystallization conditions (melt-crystallization, cold-crystallization, solvent-induced crystallization, melting-recrystallization, and crystallization from solution) keeps the same mode of packing, i.e., a two-chain orthorhombic unit cell with the dimensions a = 0.784 nm, b = 0.600 nm, and c = 4.745 nm (form I). A second crystal modification (form II) can be induced by uniaxial drawing above the glass transition temperature, and always coexists with form I. This form also possesses an orthorhombic unit cell but with different dimensions, i.e., a = 0.470 nm, b = 1.054 nm, c = 5.064 nm. The 0.32 nm longer c-axis of form II as compared with form I is attributed to an overextended chain conformation due to the expansion of ether and ketone bridge bond angles during uniaxial drawing. The temperature dependence of WAXD patterns for the drawn PEDEKmK suggests that form II can be transformed into the more stable form I by relaxation of overextended chains and relief of internal stress at elevated temperature in absence of external tension.

Scattering matrix approach to electronic dephasing in long-range electron transfer

Based on the Buttiker dephasing model, we propose an analytical scattering matrix approach to the long-range electron transfer phenomena. The present efficient scheme smoothly interpolates between the superexchange and the sequential hopping mechanisms. Various properties such as the drastic dephasing-assisted enhancement and turnover behaviors are demonstrated in good agreement with those obtained via the dynamical reduced density-matrix methods. These properties are further elucidated as results of the interplay among the dephasing strength, the tunneling parameter, and the bridge length of the electron transfer system. (C) 2001 American Institute of Physics.

Synthesis of macrocyclic arylene ketone oligomers containing the phthaloyl moiety by Friedel-crafts acylation reaction

Two kinds of macrocyclic arylene ketone oligomers have been synthesized in high yield from phthaloyl dichloride and various bridge-linking electron-rich aromatic hydrocarbons via the modified Friedel-Crafts acylation reaction. The presence of a Lewis base in this reaction is demonstrated to be advantageous for forming macrocycle oligomers. These resultant oligomers can undergo melt ring-opening polymerization to give polymers with high T. and excellent thermal stability.

分形公司概念及理论

在世纪之交，市场环境动荡变化，全球各国纷纷研究和探索“新的制造模式”，提出了种种新思想，如敏捷制造、仿生制造和分形公司等．本文对分形公司的基本概念、结构和设计方法进行了介绍和探讨。

基于窗口精细结构描述的岩体质量评价及力学参数综合优选

This thesis bases on horizontal research project “The research about the fine structure and mechanical parameters of abutment jointed rock mass of high arch dam on Jinping Ⅰ Hydropower Station, Yalong River” and “The research about the fine structure and mechanical parameters of the columnar basalt rock mass on Baihetan Hydropower Station, Jinsha River”. A rounded system about the fine structure description and rock mass classification is established. This research mainly contains six aspects as follow: (1) Methods about fine structure description of the window rock mass; (2) The window rock mass classification about the fine structure; (3) Model test study of intermittent joints; (4) Window rock mass strength theory; (5) Numerical experimentations about window rock mass; (6) The multi-source fusion of mechanical parameters based on Bayes principle. Variation of intact rock strength and joint conditions with the weathering and relaxation degree is studied through the description of window rock mass. And four principal parameters: intact rock point load strength, integration degree of window rock mass, joint conditions, and groundwater condition is selected to assess the window rock mass. Window rock mass is classified into three types using the results of window rock mass fine structure description combined with joints develop model. Scores about intact rock strength, integrality condition, divisional plane condition and groundwater conditions are given based on window rock mass fine structure description. Then quality evaluation about two different types of rock mass: general joint structure and columnar jointing structure are carried out to use this window rock mass classification system. Application results show that the window rock mass classification system is effective and applicable. Aimed at structural features of window structure of “the rock mass damaged by recessive fracture”, model tests and numerical models are designed about intermittent joints. By conducting model tests we get shear strength under different normal stress in integrated samples, through samples and intermittent joints samples. Also, the changing trends of shear strength in various connectivity rates are analyzed. We numerically simulate the entire process of direct shear tests by using PFC2D. In order to tally the stress-strain curve of numerical simulation with experimental tests about both integrated samples and through samples, we adjust mechanical factors between particles. Through adopting the same particle geometric parameter, the numerical sample of intermittent joints in different connective condition is re-built. At the same time, we endow the rock bridges and joints in testing samples with the fixed particle contacting parameters, and conduct a series of direct shear tests. Then the destructive process and mechanical parameters in both micro-prospective and macro-prospective are obtained. By synthesizing the results of numerical and sample tests and analyzing the evolutionary changes of stress and strain on intermittent joints plane, we conclude that the centralization of compressive stress on rock bridges increase the shear strength of it. We discuss the destructive mechanics of intermittent joints rock under direct shear condition, meanwhile, divide the whole shear process into five phases, which are elasticity phase, fracture initiation phase, peak value phase, after-peak phase and residual phase. In development of strength theory, the shear strength mechanisms of joint and rock bridge are analyzed respectively. In order to apply the deducted formulation conveniently in the real projects, a relationship between these formulations and Mohr-Coulomb hypothesis is built up. Some sets of numerical simulation methods, i.e. the distinct element method (UDEC) based on in-situ geology mapping are developed and introduced. The working methods about determining mechanical parameters of intact rock and joints in numerical model are studied. The operation process and analysis results are demonstrated detailed from the research on parameters of rock mass based on numerical test in the Jinping Ⅰ Hydropower Station and Baihetan Hydropower Station. By comparison，the advantages and disadvantages are discussed. Results about numerical simulation study show that we can get the shear strength mechanical parameters by changing the load conditions. The multi-source rock mass mechanical parameters can be fused by the Bayes theory, which are test value, empirical value and theoretical value. Then the value range and its confidence probability of different rock mass grade are induced and these data supports the reliability design.

基于精细结构描述及数值试验的断续节理岩体力学参数智能选取

Evaluating the mechanical properties of rock masses is the base of rock engineering design and construction. It has great influence on the safety and cost of rock project. The recognition is inevitable consequence of new engineering activities in rock, including high-rise building, super bridge, complex underground installations, hydraulic project and etc. During the constructions, lots of engineering accidents happened, which bring great damage to people. According to the investigation, many failures are due to choosing improper mechanical properties. ‘Can’t give the proper properties’ becomes one of big problems for theoretic analysis and numerical simulation. Selecting the properties reasonably and effectively is very significant for the planning, design and construction of rock engineering works. A multiple method based on site investigation, theoretic analysis, model test, numerical test and back analysis by artificial neural network is conducted to determine and optimize the mechanical properties for engineering design. The following outcomes are obtained: (1) Mapping of the rock mass structure Detailed geological investigation is the soul of the fine structure description. Based on statistical window，geological sketch and digital photography，a new method for rock mass fine structure in-situ mapping is developed. It has already been taken into practice and received good comments in Baihetan Hydropower Station. (2) Theoretic analysis of rock mass containing intermittent joints The shear strength mechanisms of joint and rock bridge are analyzed respectively. And the multiple modes of failure on different stress condition are summarized and supplied. Then, through introducing deformation compatibility equation in normal direction, the direct shear strength formulation and compression shear strength formulation for coplanar intermittent joints, as well as compression shear strength formulation for ladderlike intermittent joints are deducted respectively. In order to apply the deducted formulation conveniently in the real projects, a relationship between these formulations and Mohr-Coulomb hypothesis is built up. (3) Model test of rock mass containing intermittent joints Model tests are adopted to study the mechanical mechanism of joints to rock masses. The failure modes of rock mass containing intermittent joints are summarized from the model test. Six typical failure modes are found in the test, and brittle failures are the main failure mode. The evolvement processes of shear stress, shear displacement, normal stress and normal displacement are monitored by using rigid servo test machine. And the deformation and failure character during the loading process is analyzed. According to the model test, the failure modes quite depend on the joint distribution, connectivity and stress states. According to the contrastive analysis of complete stress strain curve, different failure developing stages are found in the intact rock, across jointed rock mass and intermittent jointed rock mass. There are four typical stages in the stress strain curve of intact rock, namely shear contraction stage, linear elastic stage, failure stage and residual strength stage. There are three typical stages in the across jointed rock mass, namely linear elastic stage, transition zone and sliding failure stage. Correspondingly, five typical stages are found in the intermittent jointed rock mass, namely linear elastic stage, sliding of joint, steady growth of post-crack, joint coalescence failure, and residual strength. According to strength analysis, the failure envelopes of intact rock and across jointed rock mass are the upper bound and lower bound separately. The strength of intermittent jointed rock mass can be evaluated by reducing the bandwidth of the failure envelope with geo-mechanics analysis. (4) Numerical test of rock mass Two sets of methods, i.e. the distinct element method (DEC) based on in-situ geology mapping and the realistic failure process analysis (RFPA) based on high-definition digital imaging, are developed and introduced. The operation process and analysis results are demonstrated detailedly from the research on parameters of rock mass based on numerical test in the Jinping First Stage Hydropower Station and Baihetan Hydropower Station. By comparison，the advantages and disadvantages are discussed. Then the applicable fields are figured out respectively. (5) Intelligent evaluation based on artificial neural network (ANN) The characters of both ANN and parameter evaluation of rock mass are discussed and summarized. According to the investigations, ANN has a bright application future in the field of parameter evaluation of rock mass. Intelligent evaluation of mechanical parameters in the Jinping First Stage Hydropower Station is taken as an example to demonstrate the analysis process. The problems in five aspects, i. e. sample selection, network design, initial value selection, learning rate and expected error, are discussed detailedly.

陡坡带砂砾岩体油气成藏模式研究——以东营凹陷西北部陡坡带为例

Based on the study of sequence stratigraphy, modern sedimentary, basin analysis, and petroleum system in abrupt slop of depression, this paper builds sedimentary system and model, sandy bodies distribution, and pool-forming mechanism of subtle trap. There are some conclusions and views as follows. By a lot of well logging and seismic analysis, the author founded up the sequence stratigraphic of the abrupt slope, systematically illustrated the abrupt slope constructive framework, and pointed out that there was a special characteristics which was that south-north could be divided to several fault block and east-west could be carved up groove and the bridge in studying area. Based all these, the author divided the studying area to 3 fault block zone in which because of the groove became the basement rock channel down which ancient rivers breathed into the lake, the alluvial fan or fan delta were formed. In the paper, the author illustrated the depositional system and depositional model of abrupt slope zone, and distinguished 16 kinds of lithofacies and 3 kinds of depositional systems which were the alluvial fan and fan-delta system, lake system and the turbidite fan or turbidity current deposition. It is first time to expound completely the genetic pattern and distributing rule of the abrupt slope sandy-conglomeratic fan bodies. The abrupt slope sandy-conglomeratic fan bodies distribute around the heaves showing itself circularity shape. In studying area, the sandy-conglomeratic fan bodies mainly distribute up the southern slope of Binxian heave and Chenjiazhuang heave. There mainly are these sandy-conglomeratic fan body colony which distributes at a wide rage including the alluvial fan, sub-water fluvial and the turbidite fan or the other turbidity current deposition in the I fault block of the Wangzhuang area. In the II fault block there are fan-delta front and sub-water fluvial. And in the Binnan area, there mainly are those the alluvial fan (down the basement rock channel) and the sandy-conglomeratic fan body which formed as narrowband sub-water fluvial (the position of bridge of a nose) in the I fault block, the fan-delta front sandy-conglomeratic fan body in the H fault block and the fan-delta front and the turbidity current deposition sandy-conglomeratic fan body in the m fault block. Based on the reservoir outstanding characteristics of complex classic composition and the low texture maturity, the author comparted the reservoir micro-structure of the Sha-III and Sha-IV member to 4 types including the viscous crude cementation type, the pad cementation type, the calcite pore-funds type and the complex filling type, and hereby synthetically evaluated 4 types sandy- conglomeratic fan body reservoir. In the west-north abrupt slope zone of Dongying Depression, the crude oil source is belonging to the Sha-III and Sha-IV member, the deep oil of Lijin oilfield respectively come from the Sha-III and Sha-IV member, which belongs to the autogeny and original deposition type; and the more crude oil producing by Sha-IV member was migrated to the Wangzhuan area and Zhengjia area. The crude oil of Binnan oil-field and Shanjiasi oil-field belongs to mixed genetic. It is the first time to illustrate systematically the genetic of the viscous crude that largely being in the studying area, which are that the dissipation of the light component after pool-forming, the biological gradation action and the bath-oxidation action, these oil accumulation belonging to the secondary viscous crude accumulation. It is also the first time to compart the studying area to 5 pool-forming dynamical system that have the characteristic including the common pressure and abnormal pressure system, the self-fountain and other-fountain system and the closing and half-closing system etc. The 5 dynamical systems reciprocally interconnected via the disappearance or merger of the Ethology and the fluid pressure compartment zone, the fault and the unconformity surface, hereby formed duplicated pattern oil-gas collecting zone. Three oil-gas pool-forming pattern were founded, which included the self-fountain side-direction migrated collecting pattern, the self-fountain side-direction ladder-shape pool-forming pattern and the other-fountain pressure releasing zone migrated collecting pattern. A series of systemic sandy-conglomeratic fan bodies oil-gas predicting theory and method was founded, based on the groove-fan corresponding relation to confirm the favorable aim area, according as the characteristic of seismic-facies to identify qualitatively the sandy-conglomeratic fan bodies or its scale, used the temporal and frequency analysis technique to score the interior structure of the sandy- conglomeratic fan bodies, applied for coherent-data system analysis technology to describe the boundary of the sandy-conglomeratic fan bodies, and utilized the well logging restriction inversion technique to trace quantificational and forecast the sandy-conglomeratic fan bodies. Applied this technique, totally 15 beneficial sandy-conglomeratic fan bodies were predicted, in studying area the exploration was preferably guided, and the larger economic benefit and social benefit was acquired.

高山峡谷地区大跨度桥梁岸坡稳定性分析、趋势预测及应用研究

In order to realize fast development of the national economy in a healthy way and coordinate progress with whole society, the country has implemented the strategy of development of the western region. An important action of finishing this strategic task is to accelerate the highway construction in the western region, join the western region and places along the coast, the river, the border with goods and materials, technology, and personnel interchanges, and then drive development of the local economy.The western region was influenced by the Himalaya Tectonization in Cenozoic, and the crust rose and became the plateau. In the course of rising, rivers cut down sharply to form a lot of high mountains and gorges.Because of topography and geomorphology, bridges in the traffic construction in the alpine gorge area are needed. Rivers have characteristics of large flow, fast velocity and high and steep river valley, so building a pier in the river is not only very difficult, but also making the cost increase. At the same time, the impact that the pier is corroded and the bridge base that is drawn to be empty by flow are apt to cause destruction of the pier. For those reasons, suspending bridge and cable-stay bridge are usually adopted with the single and large span. For the large span bridge, the pier foundation could receive ten thousand and more vertical strength, bending moment and near kiloton horizontal thrust.Because bank slope in the alpine gorge district is cut deeply and unsettled big, natural stability is worse under endogenic and exogenic force. When bank slope bears heavy vertical strength, bending moment and horizontal thrust facing the river, it will inevitably make the balance state of rock and soil mass change, bridge bank slope deform, and even destroyed. So the key problem at the time of the large span's bridge construction in the alpine gorge area is how to make it stable.So based on the spot investigation, the Engineering Geology Analysis Method is very important to grasp the bank slope stability. It can provide the bank slope stability macroscopic ally and qualitatively, and reference to the indoor calculation. The Engineering Geology Analysis Method is that by way of analyzing and investigating terms of bank slope instability, stability development trend, the ancient rock slide and devolution in the site, stability comprehensive evaluation primarily, current and future stability of bank slope is gotten, realizing the intention to serving the concrete engineering.After the Engineering Geology Analysis Method is applied to project instances of BeiPan River Bridge and BaLin River Bridge, results are accord with bank slope actual conditions, which proves sites are suited to building bridges from site stability.we often meet bank slope stability issues in the traffic construction in the alpine gorge areao Before the evaluation of the bank slope stability, the engineering geological condition is investigated first. After that, the next exploration target and geology measures are decided. So, the Engineering Geology Analysis Method that the investigation of the engineering geological condition is the main content is quite important in practice. The other evaluations of the bank slope stability are based on it. Because foundation receives very heavy load, for the big span's bridge in the alpine gorge area, a long pile of the large diameter (D^0.8m) is usually selected. In order to reflect rock mass's deformation properties under rock-socketed pile function, the author has used the FLAG30 software for rock and soil mass and done many numerical simulations. By them, the author launches the further investigation on deformation properties of bank slope under different slope angle, pile length, diameter, elastic modulus, load, bank slope's structure, etc. Some conclusion meaningful to the design and produce are obtained.

Instability from steady and axisymmetric to steady and asymmetric floating half zone convection in a fat liquid bridge of larger Prandtl number

The linear instability analysis of the present paper shows that the thermocapillary convection in a half floating zone of larger Prandtl number has a steady instability mode w(i) = 0 and m = 1 for a fat liquid bridge V = 1.2 with small geometrical aspect ratio A = 0.6. This conclusion is different from the usual idea of hydrothermal instability, and implies that the instability of the system may excite a steady and axial asymmetric state before the onset of oscillation in the ease of large Prandtl number.

bridge the gap between software test process and business value: a case study

Chinese Academy of Sciences (ISCAS)

Effects of bridge ions, DNA species, and developing temperature on flat-lying DNA monolayers

Recently, we have successfully constructed flat-lying DNA monolayers on a mica surface (J. Phys. Chem. B 2006, 110, 10792-10798). In this work, the effects of various factors including bridge ions, DNA species, and developing temperature on the configuration of DNA monolayers have been investigated by atomic force microscopy (AFM) in detail. AFM results show that the species of bridge ions and developing temperature play a crucial role during the formation process. For example, the divalent cation Zn2+ resulted in many DNA chains stuck side by side in the monolayers due to the strong interactions between it and DNA's bases or the mica surface. Most DNA chain's conglutinations disappeared when the developing temperature was higher than 40 degrees C. Cd2+ and Ca2+ produced more compact DNA monolayers with some obvious aggregations, especially for the DNA monolayers constructed by using Ca2+ as the bridge ion. Co2+ produced well-ordered, flat-lying DNA monolayers similar to that of Mg2+. Furthermore, it was found that the flat-lying DNA monolayers could still form on a mica surface when plasmid DNA pBR 322 and linear DNA pBR 322/Pst I were used as the DNA source. Whereas, it was hard to form DNA monolayers on a (3-aminopropyl)triethoxysilane-mica surface because the strong interactions between DNA and substrate prevented the lateral movement of DNA molecules.

Synthesis of C-1 bridge-containing metallocene catalysts and their catalytic activities for olefin polymerization

The synthesis and characterization of metallocene complexes which can be used as catalysts in the presence of MAO for olefin polymerization were discussed in the present paper. The metallocene complexes have been characterized by IR, H-1 NMR, EI-MS spectra and element analyses; The catalytic features of Olefin polymerization were studied under different conditions. Metallocenes in which metals is Ti had no activity for ethylene polymerization, Polymers with different features can be obtained by using different catalysts.

Synthesis and structure of molybdenum-citrato cluster mu(2)-S bridge

A new molybdenum-citrato cluster containing [Mo2O2(mu-S)(2)(C6H5O7)(C6H4O7)](5-) anion was synthesized and characterized by elemental analysis, IR, UV-Vis spectra, XPS and X-ray diffraction. The parameters of the crystal structure of the compound are monoclinic, space group P2(1)/c, a = 2. 376 6(5) nm, b = 1. 327 4(3) nm, c = 2. 247 1(5) nm, beta = 118. 21 degrees, V = 6. 247(2) nm(3), Z = 8, D-c = 2. 128 g/cm(3), F(000) = 3 984, mu = 1 694 cm(-1), R = 0. 083 1 and R-2,R-w = 0. 154 9. The anion is binuclear molybdenum-citrato complex with mu(2)-S bridge. Each molybdenum atom pocesesses a distorted octahedral struture, which is coordinated with a terminal oxygen, two sulfur atoms, three oxygen atoms of hydroxyl, alpha-carboxylate, beta-carboxylate from citrate.