Molecular construction of oriented crystalline NaMnF3 and KMnF3 with perovskite structures at room temperature

In this work. we report the fabrication of high-quality (101)-oriented orthorhombic NaMnF3 and (100)-oriented cubic KMnF3 perovskites via an organic monolayer template at room temperature. The controlled crystallization under the organic monolayer template is explained in terms of the electrostatic interactions and beneficial lattice matching between the organic template and the ions undergoing nucleation. The present study is of great importance in the preparation of oriented perovskite materials as well as in the understanding of the mechanism for organic-template-directed crystallization.

Preparation and characterization of ordered yttrium arachidate multilayer

The behavior of arachidic acid on the surface of YCI3 aqueous subphase was studied by LB and Brewster angle microscopy techniques. The results showed that the pre-compressing time and the pH of the subphase played an important role in the forming of the monolayer. The monolayer on the subphase surface was irreversible. If the monolayer was compressed into wrinkles, the monolayer could not become uniform again. The optimum transferring conditions were selected and the ordered yttrium arachidate multilayer with a long spacing of 4.96 nm and a tilt angle of 28.5degrees of the three alkyl chains from the surface normal was fabricated and characterized.

Study of the mechanism for controlled crystallization of BaF2 under two kinds of monolayers

Controlled crystallization of BaF2 under two different kinds of monolayers, octadecylamine [CH3(CH2)(17)NH2] and hexadecanol [CH3(CH2)(14)CH2OH], has been studied by using x-ray diffraction (XRD) and scanning electron microscope. It was found that the monolayer headgroup, the degree of ionization of the headgroup, etc., had a complicated effect on the selectivity of monolayers for crystal and on the morphology and orientation of crystals grown under the compressed monolayers. At pH = 7.0, XRD analysis showed that (100)-oriented BaF2 crystals were formed under the octadecylamine monolayer, while several kinds of crystals were found under the hexadecanol monolayer. In comparison, at pH = 8.5, both (100)-oriented BaF2 and (111)-oriented Ba(NO3)(2) crystals were obtained under the monolayer of octadecylamine. However, crystals formed under hexadecanol monolayer consist of BaF2, Ba(NO3)(2), etc. The detailed mechanism for crystallization was discussed in terms of the specific interaction and lattice matching between the monolayer headgroup and the nucleating species.

Comparison of wavelet transform methods - The compression of IR spectral data

In this paper, an introduction of wavelet transform and multi-resolution analysis is presented. We describe three data compression methods based on wavelet transform for spectral information,and by using the multi-resolution analysis, we compressed spectral data by Daubechies's compactly supported orthogonal wavelet and orthogonal cubic B-splines wavelet, Using orthogonal cubic B-splines wavelet and coefficients of sharpening signal are set to zero, only very few large coefficients are stored, and a favourable data compression can be achieved.

基于PMAC开放式数控系统软件开发

基于PC和多轴运动控制器的开放式数控系统是理想的开放式数控系统。介绍了基于PMAC的开放式数控系统结构形式,PMAC的差补、位置控制、伺服功能、以PMAC和PC机为硬件平台搭建了数控系统,并对其硬件构成和软件设计结构进行了分析。着重从软件设计的角度,介绍了PTALK控件的功能和作用,对数控系统软件构成进行了详细的阐述。并设计出了友好的用户界面,在实际应用中具有重要意义。

岩体力学参数及稳定性能量判据研究

There are two major problems that have been concerned all the times, which are the mechanics characters of joint rock mass and the criterion for stability of engineering rock. Aim at the two problems, several works were conducted as follow: (1) Firstly, the mechanics characters of rock mass was studied by means of the Distinct Element Code. Subsequently, it was studied that the sensibility of joint surface roughness, strength of joint wall, joint stiffness ( i.e. tangential and normal stiffness) on the rock mass strength. (2) Based on the experimental rock mass classification methods of RMR and GSI, the program of “Parameters Calculation of the Rock Mass ” was developed. It has realized the rapid choice of rock mass parameters. (3) The concept of Representive Element Volume was induced based on the study of dimensional effect of rock mass. The Representive Element Volume of the horizontal and vertical pillar (ab. Two Pillars ) in the 2nd zone of Jinchuan mine were gained by the Geology Statistic Method and the Distinct Element Code. And then, the strength and deformatiom parameters of rock mass of the Two Pillars were obtained through numerical experiment. (4) From the confining depressure after thriaxial compression test of rock sample, it was concluded that the failure of rock is caused mainly by the lateral deformation and energy release happened during the confining depressure processure. The criterion of plastic energy catastrophe of rock engineering failure was proposed and validated. Subsquently, the stability of the horizontal pillar and Qianjiangping landslide in Three Gorges was judged by means of above-mentioned method. (5) Based on the fact there is a phenomenon of increasing energy concentration while the rock mass was compressed, rock information entropy (i.e. energy distribution entropy) was proposed. And it was revealed that there was change of energy distribution entropy while the rock mass was compressed to failure.

水-岩土反应的力学与环境效应研究

The research on mechanical effects of water-rock and soil interaction on deformation and failure of rocks and soils involves three aspects of mechanics, physics and chemistry. It is the cross between geochemistry and rock mechanics and soil mechanics. To sum up, the mechanical effects of water-rock and soil interaction is related to many complex processes. Research in this respect has been being an important forward field and has broad prospects. In connection with the mechanism of the effects of the chemical action of water-rock on deformation and failure of rocks and soils, the research significance, the present state, the developments in this research domain are summarized. Author prospects the future of this research. The research of the subject should be possessed of important position in studying engineering geology and will lead directly to a new understand on geological hazard and control research. In order to investigation the macroscopic mechanics effects of chemical kinetics of water-rock interaction on the deformation and failure, calcic rock, red sandstone and grey granite reacting chemically with different aqueous solution at atmospheric temperature and atmospheric pressure are uniaxially compressed. The quantitative results concerning the changes of uniaxially compressive strength and elastic modulus under different conditions are obtained. It is found that the mechanical effects of water on rock is closely related to the chemical action of water-rock or the chemical damage in rock, and the intensity of chemical damage is direct ratio to the intensity of chemical action in water-rock system. It is also found that the hydrochemical action on rock is time-dependent through the test. The mechanism of permeation and hydrochemical action resulting in failure of loaded rock mass or propagation of fractures in rocks would be a key question in rock fracture mechanics. In this paper, the fracture mechanical effects of chemical action of water-rock and their time- and chemical environment-dependent behavior in grey granite, green granite, grey sandstone and red sandstone are analyzed by testing K_(IC) and COD of rock under different conditions. It is found that: ①the fracture mechanical effect of chemical action of water-rock is outstanding and time-dependent, and high differences exist in the influence of different aqueous solution, different rocks, different immersion ways and different velocity of cycle flow on the fracture mechanical effects in rock. ②the mechanical effects of water-rock interaction on propagation of fractures is consistent with the mechanical effects on the peak strength of rock. ③the intensity of the mechanical fracture effects increases as the intensity of chemical action of water-rock increases. ④iron and calcium ion bearing mineral or cement in rock are some key ion or chemical composition, and especially iron ion-bearing mineral resulting in chemical action of water-rock to be provided with both positive and negative mechanical effects on rock. Through the above two tests, we suggest that primary factors influencing chemical damage in rock consist of the chemical property of rock and aqueous solution, the structure or homogeneity of rocks, the flow velocity of aqueous solution passing through rock, and cause of formation or evolution of rock. The paper explores the mechanism on the mechanical effects of water-rock interaction on rock by using the theory of chemistry and rock fracture mechanics with chemical damage proposed by author, the modeling method and the energy point of view. In this paper, the concept of absorbed suction between soil grains caused by capillary response is given and expounded, and the relation and basic distinction among this absorbed suction, surface tension and capillary pressure of the soil are analyzed and established. The law of absorbed suction change and the primary factors affecting it are approached. We hold that the structure suction are changeable along with the change of the saturation state in unsaturated soils. In view of this, the concept of intrinsic structure suction and variable structure suction are given and expounded, and this paper points out: What we should study is variable structure suction when studying the effective stress. By IIIy κHH's theory of structure strength of soils, the computer method for variable structure suction is analyzed, the measure method for variable structure suction is discussed, and it reach the conclusions: ①Besides saturation state, variable structure suction is affected by grain composition and packing patter of grains. ②The internal relations are present between structure parameter N in computing structure suction and structure parameter D in computing absorbed suction. We think that some problems exit in available principle of effective stress and shear strength theory for unsaturated soil. Based on the variable structure suction and absorbed suction, the classification of saturation in soil and a principle of narrow sense effective stress are proposed for unsaturated soils. Based on generalized suction, the generalized effective stress formula and a principle of generalized effective stress are proposed for unsaturated soils. The experience parameter χ in Bishop's effective stress formula is defined, and the principal factors influencing effective stress or χ. The primary factor affecting the effective stress in unsaturated soils, and the principle classifying unsaturated soils and its mechanics methods analyzing unsaturated soils are discussed, and this paper points out: The theory on studying unsaturated soil mechanics should adopt the micromechanics method, then raise it to macromechanics and to applying. Researching the mechanical effects of chemical action of water-soil on soil is of great importance to geoenvironmental hazard control. The texture of soil and the fabric of soil mass are set forth. The tests on physical and mechanical property are performed to investigate the mechanism of the positive and negative mechanical effects of different chemical property of aqueous solution. The test results make clear that the plastic limit, liquid limit and plasticity index are changed, and there exists both positive and negative effects on specimens in this test. Based on analyzing the mechanism of the mechanical effects of water-soil interaction on soil, author thinks that hydrochemical actions being provided with mechanical effects on soil comprise three kinds of dissolution, sedimentation or crystallization. The significance of these tests lie in which it is recognized for us that we may improve, adjust and control the quality of soils, and may achieve the goal geological hazard control and prevention.The present and the significance of the research on environmental effects of water-rock and soil interaction. Various living example on geoenvironmental hazard in this field are enumerated. Following above thinking, we have approached such ideals that: ①changing the intensity and distribution of source and sink in groundwater flow system can be used to control the water-rock and soil interaction. ②the chemical action of water-rock and soil can be used to ameliorate the physical and mechanical property of rocks and soils. Lastly, the research thinking and the research methods on mechanical effects and environmental effects of water-rock and soil interaction are put forward and detailed.

中国大陆及邻区地震活动背景、环境触发与地震预测研究

This dissertation that includes most of the P. PH.D research work during 2001~2002 covers the large-scale distribution of continental earthquakes in mainland China, the mechanism and statistic features of grouped strong earthquakes related to the tidal triggering, some results in earthquake prediction with correlativity analysis methods, and the flushes from the two strong continental earthquakes in South Asia in 2001. Mainland China is the only continental sub-plate that is compressed by collision boundaries at its two sides, within which earthquakes are dispersive and distributed as seismic belts with different widths. The control capability of the continental block boundaries on the strong earthquakes and seismic hazards is calculated and analyzed in this dissertation. By mapping the distribution of the 31282 ML:3s2,0 earthquakes, I found that the depth of continental earthquakes depend on the tectonic zonings. The events on the boundaries of relatively integrated blocks are deep and those on the new-developed ruptures are shallow. The average depth of earthquakes in the West of China is about 5km deeper than that in the east. The western and southwestern brim of Tarim Basin generated the deepest earthquakes in mainland China. The statistic results from correlation between the grouped M7 earthquakes and the tidal stress show that the strong events were modulated by tidal stress in active periods. Taking Taiwan area as an example, the dependence of moderate events on the moon phase angles (￡>) is analyzed, which shows that the number of the earthquakes in Taiwan when D is 50° ,50° +90° and 50° +180° is more than 2 times of standard deviation over the average frequency at each degree, corresponding to the 4th, 12th and 19th solar day after the new moon. The probability of earthquake attack to the densely populated Taiwan island on the 4th solar day is about 4 times of that on other solar days. On the practice of earthquake prediction, I calculated and analyzed the temporal correlation of the earthquakes in Xinjinag area, Qinghai-Tibet area, west Yunnan area, North China area and those in their adjacent areas, and predicted at the end of 2000 that it would be a special time interval from 2001 to 2003, within which moderate to strong earthquakes would be more active in the west of China. What happened in 2001 partly validated the prediction. Within 10 months, there were 2 great continental earthquakes in south Asia, i.e., the M7.8 event in India on Jan 26 and M8.1 event in China on Nov. 14, 2001, which are the largest earthquake in the past 50 years both for India and China. No records for two great earthquakes in Asia within so short time interval. We should speculate the following aspects from the two incidences: The influence of the fallacious deployment of seismic stations on the fine location and focal mechanism determination of strong earthquakes must be affronted. It is very important to introduce comparative seismology research to seismic hazard analysis and earthquake prediction research. The improvement or changes in real-time prediction of strong earthquakes with precursors is urged. Methods need to be refreshed to protect environment and historical relics in earthquake-prone areas.

用宽频带远震体波波形研究中国及邻近地区地壳构造及地质意义初探

The theory and approach of the broadband teleseismic body waveform inversion are expatiated in this paper, and the defining the crust structure's methods are developed. Based on the teleseismic P-wave data, the theoretic image of the P-wave radical component is calculated via the convolution of the teleseismic P-wave vertical component and the transform function, and thereby a P-wavefrom inversion method is built. The applied results show the approach effective, stable and its resolution high. The exact and reliable teleseismic P waveforms recorded by CDSN and IRIS and its geodynamics are utilized to obtain China and its vicinage lithospheric transfer functions, this region ithospheric structure is inverted through the inversion of reliable transfer functions, the new knowledge about the deep structure of China and its vicinage is obtained, and the reliable seismological evidence is provided to reveal the geodynamic evolution processes and set up the continental collisional theory. The major studies are as follows: Two important methods to study crustal and upper mantle structure -- body wave travel-time inversion and waveform modeling are reviewed systematically. Based on ray theory, travel-time inversion is characterized by simplicity, crustal and upper mantle velocity model can be obtained by using 1-D travel-time inversion preliminary, which introduces the reference model for studying focal location, focal mechanism, and fine structure of crustal and upper mantle. The large-scale lateral inhomogeneity of crustal and upper mantle can be obtained by three-dimensional t ravel-time seismic tomography. Based on elastic dynamics, through the fitting between theoretical seismogram and observed seismogram, waveform modeling can interpret the detail waveform and further uncover one-dimensional fine structure and lateral variation of crustal and upper mantle, especially the media characteristics of singular zones of ray. Whatever travel-time inversion and waveform modeling is supposed under certain approximate conditions, with respective advantages and disadvantages, and provide convincing structure information for elucidating physical and chemical features and geodynamic processes of crustal and upper mantle. Because the direct wave, surface wave, and refraction wave have lower resolution in investigating seismic velocity transitional zone, which is inadequate to study seismic discontinuities. On the contrary, both the converse and reflected wave, which sample the discontinuities directly, must be carefully picked up from seismogram to constrain the velocity transitional zones. Not only can the converse wave and reflected wave study the crustal structure, but also investigate the upper mantle discontinuities. There are a number of global and regional seismic discontinuities in the crustal and upper mantle, which plays a significant role in understanding physical and chemical properties and geodynamic processes of crustal and upper mantle. The broadband teleseismic P waveform inversion is studied particularly. The teleseismic P waveforms contain a lot of information related to source time function, near-source structure, propagation effect through the mantle, receiver structure, and instrument response, receiver function is isolated form teleseismic P waveform through the vector rotation of horizontal components into ray direction and the deconvolution of vertical component from the radial and tangential components of ground motion, the resulting time series is dominated by local receiver structure effect, and is hardly irrelevant to source and deep mantle effects. Receiver function is horizontal response, which eliminate multiple P wave reflection and retain direct wave and P-S converted waves, and is sensitive to the vertical variation of S wave velocity. Velocity structure beneath a seismic station has different response to radial and vertical component of an accident teleseismic P wave. To avoid the limits caused by a simplified assumption on the vertical response, the receiver function method is mended. In the frequency domain, the transfer function is showed by the ratio of radical response and vertical response of the media to P wave. In the time domain, the radial synthetic waveform can be obtained by the convolution of the transfer function with the vertical wave. In order to overcome the numerical instability, generalized reflection and transmission coefficient matrix method is applied to calculate the synthetic waveform so that all multi-reflection and phase conversion response can be included. A new inversion method, VFSA-LM method, is used in this study, which successfully combines very fast simulated annealing method (VFSA) with damped least square inversion method (LM). Synthetic waveform inversion test confirms its effectiveness and efficiency. Broadband teleseismic P waveform inversion is applied in lithospheric velocity study of China and its vicinage. According to the data of high quality CDSN and IRIS, we obtained an outline map showing the distribution of Asian continental crustal thickness. Based on these results gained, the features of distribution of the crustal thickness and outline of crustal structure under the Asian continent have been analyzed and studied. Finally, this paper advances the principal characteristics of the Asian continental crust. There exist four vast areas of relatively minor variations in the crustal thickness, namely, northern, eastern southern and central areas of Asian crust. As a byproduct, the earthquake location is discussed, Which is a basic issue in seismology. Because of the strong trade-off between the assumed initial time and focal depth and the nonlinear of the inversion problems, this issue is not settled at all. Aimed at the problem, a new earthquake location method named SAMS method is presented, In which, the objective function is the absolute value of the remnants of travel times together with the arrival times and use the Fast Simulated Annealing method is used to inverse. Applied in the Chi-Chi event relocation of Taiwan occurred on Sep 21, 2000, the results show that the SAMS method not only can reduce the effects of the trade-off between the initial time and focal depth, but can get better stability and resolving power. At the end of the paper, the inverse Q filtering method for compensating attenuation and frequency dispersion used in the seismic section of depth domain is discussed. According to the forward and inverse results of synthesized seismic records, our Q filtrating operator of the depth domain is consistent with the seismic laws in the absorbing media, which not only considers the effect of the media absorbing of the waves, but also fits the deformation laws, namely the frequency dispersion of the body wave. Two post stacked profiles about 60KM, a neritic area of China processed, the result shows that after the forward Q filtering of the depth domain, the wide of the wavelet of the middle and deep layers is compressed, the resolution and signal noise ratio are enhanced, and the primary sharp and energy distribution of the profile are retained.

保重心脉冲压缩滤波及其在速度自动拾取中的应用

To pick velocity automatically is not only helpful to improve the efficiency of seismic data process, but also to provide quickly the initial velocity for prestack depth migration. In this thesis, we use the Viterbi algorithm to do automatic picking, but the velocity picked usually is immoderate. By thorough study and analysis, we think that the Viterbi algorithm has the function to do quickly and effectually automatic picking, but the data provided for picking maybe not continuous on derivative of its curved surface, viz., the curved face on velocity spectrum is not slick. Therefore, the velocity picked may include irrational velocity information. To solve the problem above, we develop a new method to filter signal by performing nonlinear transformation of coordinate and filter of function. Here, we call it as Gravity Center Preserved Pulse Compressed Filter (GCPPCF). The main idea to perform the GCPPCF as follows: separating a curve, such as a pulse, to several subsection, calculating the gravity center (coordinate displacement), and then assign the value (density) on the subsection to gravity center. When gravity center departure away from center of its subsection, the value assigned to gravity center is smaller than the actual one, but non other than gravity center anastomoses fully with its subsection center, the assigned value equal to the actual one. By doing so, the curve shape under new coordinate breadthwise narrows down compare to its original one. It is a process of nonlinear transformation of coordinate, due to gravity center changing with the shape of subsection. Furthermore, the gravity function is filter one, because it is a cause of filtering that the value assigned from subsection center to gravity center is obtained by calculating its weight mean of subsetion function. In addition, the filter has the properties of the adaptive time delay changed filter, owing to the weight coefficient used for weight mean also changes with the shape of subsection. In this thesis, the Viterbi algorithm inducted, being applied to auto pick the stack velocity, makes the rule to integral the max velocity spectrum ("energy group") forward and to get the optimal solution in recursion backward. It is a convenient tool to pick automatically velocity. The GCPPCF above not only can be used to preserve the position of peak value and compress the velocity spectrum, but also can be used as adaptive time delay changed filter to smooth object curved line or curved face. We apply it to smooth variable of sequence observed to get a favourable source data ta provide for achieving the final exact resolution. If there is no the adaptive time delay-changed filter to perform optimization, we can't get a finer source data and also can't valid velocity information, moreover, if there is no the Viterbi algorithm to do shortcut searching, we can't pick velocity automatically. Accordingly, combination of both of algorithm is to make an effective method to do automatic picking. We apply the method of automatic picking velocity to do velocity analysis of the wavefield extrapolated. The results calculated show that the imaging effect of deep layer with the wavefield extrapolated was improved dominantly. The GCPPCF above has achieved a good effect in application. It not only can be used to optimize and smooth velocity spectrum, but also can be used to perform a correlated process for other type of signal. The method of automatic picking velocity developed in this thesis has obtained favorable result by applying it to calculate single model, complicated model (Marmousi model) and also the practical data. The results show that it not only has feasibility, but also practicability.

Roll Project Bin Packing Benchmark Problems.

This document describes two sets of Benchmark Problem Instances for the One Dimensional Bin Packing Problem. The problem instances are supplied as compressed (zipped) SQLITE database files.

Roll Project Job Shop scheduling benchmark problems.

This document describes two sets of benchmark problem instances for the job shop scheduling problem. Each set of instances is supplied as a compressed (zipped) archive containing a single CSV file for each problem instance using the format described in http://rollproject.org/jssp/jsspGen.pdf

Roll Project Rich Vehicle Routing benchmark problems.

This document describes a large set of Benchmark Problem Instances for the Rich Vehicle Routing Problem. All files are supplied as a single compressed (zipped) archive containing the instances, in XML format, an Object-Oriented Model supplied in XSD format, documentation and an XML parser written in Java to ease use.

Pressure-induced amorphization and an amorphous-amorphous transition in densified porous silicon

Deb, S. K., Wilding, M. C., Somayazulu, M., McMillan, P. F. (2001). Pressure-induced amorphization and an amorphous-amorphous transition in densified porous silicon. Nature, 414, 528-530. RAE2008

CONFIGR: A Vision-Based Model for Long-Range Figure Completion

CONFIGR (CONtour FIgure GRound) is a computational model based on principles of biological vision that completes sparse and noisy image figures. Within an integrated vision/recognition system, CONFIGR posits an initial recognition stage which identifies figure pixels from spatially local input information. The resulting, and typically incomplete, figure is fed back to the “early vision” stage for long-range completion via filling-in. The reconstructed image is then re-presented to the recognition system for global functions such as object recognition. In the CONFIGR algorithm, the smallest independent image unit is the visible pixel, whose size defines a computational spatial scale. Once pixel size is fixed, the entire algorithm is fully determined, with no additional parameter choices. Multi-scale simulations illustrate the vision/recognition system. Open-source CONFIGR code is available online, but all examples can be derived analytically, and the design principles applied at each step are transparent. The model balances filling-in as figure against complementary filling-in as ground, which blocks spurious figure completions. Lobe computations occur on a subpixel spatial scale. Originally designed to fill-in missing contours in an incomplete image such as a dashed line, the same CONFIGR system connects and segments sparse dots, and unifies occluded objects from pieces locally identified as figure in the initial recognition stage. The model self-scales its completion distances, filling-in across gaps of any length, where unimpeded, while limiting connections among dense image-figure pixel groups that already have intrinsic form. Long-range image completion promises to play an important role in adaptive processors that reconstruct images from highly compressed video and still camera images.