MD simulation of the effect of contact area and tip radius on nanoindentation

Molecular dynamics simulations of nanoindentation are performed on monocrystal copper. A new "contact atoms" method is presented for calculating the contact area. Compared with conventional methods, this method can provide the contact area more accurately not only for sink-in but also for pile-up situation. The effect of tip radius on indentation is investigated too. The results indicate that the measured hardness of the material will become higher as the tip radius increases.

Analog-digital and digital-analog converters using single-electron and MOS transistors

This paper proposes two kinds of novel single-electron analog-digital conversion (ADC) and digital-analog conversion (DAC) circuits that consist of single-electron transistors (SETs) and metal-oxide-semiconductor (MOS) transistors. The SET/MOS hybrid ADC and DAC circuits possess the merits of the SET circuit and the MOS circuit. We obtain the SPICE macro-modeling code of the SET transistor by studying and fitting the characteristics of the SET with SPICE simulation and Monte Carlo simulation methods. The SPICE macro-modeling code is used for the simulation of the SET/MOS hybrid ADC and DAC circuits. We simulate the performances of the SET/MOS hybrid 3-b ADC and 2-b DAC circuits by using the H-SPICE simulator. The simulation results demonstrate that the hybrid circuits can perform analog-digital and digital-analog data conversion well at room temperature. The hybrid ADC and DAC circuits have advantages as-follows: 1) compared with conventional circuits, the architectures of the circuits are simpler; 2) compared with single electron transistor circuits, the circuits have much larger load capability; 3) the power dissipation of the circuits are lower than uW; 4) the data conversion rate of the circuits can exceed 100 MHz; and 5) the resolution of the ADC and DAC circuits can be increased by the pipeline architectures.

Modeling of a coal-fired slagging combustor: Development of a slag submodel

In a slagging combustor or furnace, the high combustion temperature makes the molten slag layer cover the wall and capture the particles. If these particles contain combustible matter, they will continue to burn on the running slag. As a result, the total amount of ash deposition will be much greater than that in dry-wall combustors and the total heat flux through the deposition surface will change greatly. Considering the limitations of existing simulation methods for slagging combustion, this paper introduces a new wall burning model and slag flow model from the analysis; of particle deposition phenomena. Combined with a conventional combustion simulation program, the total computational frame is introduced. From comparisons of simulation results from several kinds of methods with experimental data, the conclusion is drawn that the conventional simulation methods are not very suitable for slagging combustion and the wall burning mechanism should be considered more thoroughly.

基于正演方法的井间地震响应特征研究

地震勘探的基本任务是测量由人工震源激发的各种地震波，通过对所得到的地震波场的数据记录进行必要的处理和解释而提取所需要的地质信息。不同的地震波场特征反应了不同的地质构造等信息，因此，对地震波场特征进行研究就显得非常重要。井间地震是在一口井中激发、另一口井中接收的一种特殊的地震勘探方法，其实际记录要比常规的地震记录复杂的多，其波场中的各种波也更丰富复杂，如何识别不同类型的波并研究它们的响应特征是一个非常必要的任务。正演模拟可以为地震数据采集、处理、解释提供理论依据，是井间地震波场特征分析的一种有效方法。 本文主要研究了井间地震的数值正演模拟问题，系统地介绍了射线追踪正演模拟和波动方程正演模拟方法，利用Visual Basic 6.0语言编写了相应的射线追踪正演模拟程序，而且分两种方法详细分析了井间地震数值模型的地震响应特征，为直观的井间地震波场识别和勘探地震数据反演提供了必要的依据。本文取得的主要成果如下： 1)在前人的VSP正演模拟的基础上，改进并总结出了一套井间地震射线追踪正演模型的制作方法。 2)编制了井间地震射线追踪正演模拟程序V1.0。 3)利用编写的井间地震正演模拟程序，作了两种射线追踪数值模拟试算；利用Tesseral声波方程正演模拟试算了含有楔形体和丘状体的理论模型；取得了较好的模拟数据。

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.

基于广义Lippmann-Schwinger方程的地震波场模拟算法与应用

In the last several decades, due to the fast development of computer, numerical simulation has been an indispensable tool in scientific research. Numerical simulation methods which based on partial difference operators such as Finite Difference Method (FDM) and Finite Element Method (FEM) have been widely used. However, in the realm of seismology and seismic prospecting, one usually meets with geological models which have piece-wise heterogeneous structures as well as volume heterogeneities between layers, the continuity of displacement and stress across the irregular layers and seismic wave scattering induced by the perturbation of the volume usually bring in error when using conventional methods based on difference operators. The method discussed in this paper is based on elastic theory and integral theory. Seismic wave equation in the frequency domain is transformed into a generalized Lippmann-Schwinger equation, in which the seismic wavefield contributed by the background is expressed by the boundary integral equation and the scattering by the volume heterogeneities is considered. Boundary element-volume integral method based on this equation has advantages of Boundary Element Method (BEM), such as reducing one dimension of the model, explicit use the displacement and stress continuity across irregular interfaces, high precision, satisfying the boundary at infinite, etc. Also, this method could accurately simulate the seismic scattering by the volume heterogeneities. In this paper, the concrete Lippmann-Schwinger equation is specifically given according to the real geological models. Also, the complete coefficients of the non-smooth point for the integral equation are introduced. Because Boundary Element-Volume integral equation method uses fundamental solutions which are singular when the source point and the field are very close，both in the two dimensional and the three dimensional case, the treatment of the singular kernel affects the precision of this method. The method based on integral transform and integration by parts could treat the points on the boundary and inside the domain. It could transform the singular integral into an analytical one both in two dimensional and in three dimensional cases and thus it could eliminate the singularity. In order to analyze the elastic seismic wave scattering due to regional irregular topographies, the analytical solution for problems of this type is discussed and the analytical solution of P waves by multiple canyons is given. For the boundary reflection, the method used here is infinite boundary element absorbing boundary developed by a pervious researcher. The comparison between the analytical solutions and concrete numerical examples validate the efficiency of this method. We thoroughly discussed the sampling frequency in elastic wave simulation and find that, for a general case, three elements per wavelength is sufficient, however, when the problem is too complex, more elements per wavelength are necessary. Also, the seismic response in the frequency domain of the canyons with different types of random heterogeneities is illustrated. We analyzed the model of the random media, the horizontal and vertical correlation length, the standard deviation, and the dimensionless frequency how to affect the seismic wave amplification on the ground, and thus provide a basis for the choice of the parameter of random media during numerical simulation.

三角洲储层孔隙结构模型与剩余油分布研究——以临南油田沙河街组储层为例

The study of pore structure in reservoir was paid attention to in the early reservoir research and now a systematic research methodology is set up. On the limits of tools and conditions, methodologies and technologies on formation condition and distribution laws of pore structure and the relationship between remaining oil distribution and pore structure are uncertain and some knownage about it is also uncertain. As the development of petroleum industry, the characterization of pore structure and the prediction of remaining oil are the hot spot and difficult point in the research of oil development. The author pays a close attention to this subject and has done much research on it. In a case study in Linnan oilfield Huimin sag Jiyang Depression Bohai Bay basin by using a new method, named varied scale comprehensive modeling of pore structure, the author builds pore structure models for delta reservoir, reveals the remaining oil distribution laws in delta facies, and predicts the distribution of remaining oil in Linnan oilfield. By the application of stratigraphy, sedimentology and structure geology. the author reveals the genetic types of sandbody and its distribution laws, builds the reservoir geological models for delta sandstone reservoir in Shahejie group in Linnan oilfield and points out the geological Factors that control the development of pores and throats. Combining petrology and the reservoir sensitive analysis, the author builds the rock matrix models. It is the first time to state that rocks in different sentimental micro facies have different sensitive .response to fluid pressed into the rocks. Normally. the reservoirs in the delta front have weaker sensitivity to fluid than the reservoirs in delta plain, In same subfacies, the microfacies that have fine grain, such as bank and crevasse splay, have stronger reservoir sensitivity than the microfacies that have coarse grains, such as under-water branched channel and debauch bar. By the application of advanced testing, such as imagine analysis, scan electronic microscope, and morphology method, the author classifies the pore structure and set up the distribution models of pore, throat and pore structure. By the application of advanced theory in well-logging geology, the author finds the relationship between microscope pore structure and macroscopic percolation characteristics, and then builds the well-logging interpretation formulae for calculating pore structure parameters. By using the geostatistics methods, the author reveals the spatial correlative characteristics of pore structure. By application of conditional stochastic simulation methods, the author builds the 3D models of pore structure in delta reservoir. It is the base of predicting remaining oil distribution. By a great deal of experiments and theoretical deduction, The author expounds the laws of percolation flow in different pore structures, and the laws by which the pore structure controls the micro distribution of remaining oil, and then, states the micro mechanism of remaining oil distribution. There are two types of remaining oil. They are by-pass flow caused by micro-fingering and truncation caused by non-piston movement. By new method, the author states the different pore structure has different replacement efficiency, reveals the formation condition and distribution laws of remaining oil. predicts the remaining oil distribution in Linnan oil field, and put forward some idea about how to adjust the oil production. The study yielded good results in the production in Linnan oilfield.

黄骅坳陷大港探区油气资源潜力与资源结构预测

Facing the problems that Dagang region of Huanghua Depression has high exploration degree and its remaining resource potential and structure are not clear, the theory of Petroleum Accumulation System (PAS) is applied to divide and evaluate the oil/gas systems quantitatively. Then, the petroleum accumulation systems are taken as units to forecast and analyse the oil/gas resources and their structure using statistical methods of sampling analysis of discovery process model and generalized pareto distribution model. The exploration benefit of the unit is estimated using exploration simulation methods. On the basis of the above study, the resource potential of Huanghua Depression is discussed.Huanghua Depression can be diveded into four petroleum accumulation systems, i.e. North PAS5 Middle Qibei PAS, Middle Qinan PAS and South PAS. Each PAS can be diveded futher into several sub- PASs. Using the basic princple of Analytical Hierarchy Process, the method of quantitative evaluation of PAS is established. Then the elements and maturity of PAS are evaluated quantitatively.Taking migration and accumulation units and sub-PASs as prediction units, sampling analysis of discovery process model and generalized pareto distribution model are applied comparatively to forecast the resource structure of eight migration and accumulation units in six PASs of medium-high exploration degree. The results of these two methods are contrasted and analyzed. An examination of X2 data of these two models from exploration samples shows that generalized pareto distribution model is more effective than sampling analysis of discovery process model in Huanghua Depression. It is concluded that minimum and maximum size of reservoir and discovery sequence of reservoirs are the sensitive parameters of these two methods.Aiming at the difficult problem of forecast in low exploration degree, by analysis of relativity between resource parameters and their possible influential geological factors, forecast models for resource parameters were established by liner regressing. Then the resource structure is forecasted in PASs of low exploration degree.Based on the forecast results, beginning with the analysis of exploration history and benefit variation, the exploration benefit variation of the above PASs is fitted effectively using exploration simulation method. The single well exploration benefit of remaining oil resource is also forecasted reasonably.The results of resource forecast show that the total oil resources ofHuanghua Depression amount to 2.28 b illion ton. By the end o f 2 003, the accumulative total proved oil reserve is 0.90 billion ton and the remaining oil resources is 1.38 billion ton. The remaining oil resource is concentrated in Kongdian-Dengmingshi, Banqiao-Beidagang, Qidong-Yangerzhuang and Baidong-Qizhong sub-PASs.

Modeling, numerical methods, and simulation for particle-fluid two-phase flow problems

In this paper, we study the issues of modeling, numerical methods, and simulation with comparison to experimental data for the particle-fluid two-phase flow problem involving a solid-liquid mixed medium. The physical situation being considered is a pulsed liquid fluidized bed. The mathematical model is based on the assumption of one-dimensional flows, incompressible in both particle and fluid phases, equal particle diameters, and the wall friction force on both phases being ignored. The model consists of a set of coupled differential equations describing the conservation of mass and momentum in both phases with coupling and interaction between the two phases. We demonstrate conditions under which the system is either mathematically well posed or ill posed. We consider the general model with additional physical viscosities and/or additional virtual mass forces, both of which stabilize the system. Two numerical methods, one of them is first-order accurate and the other fifth-order accurate, are used to solve the models. A change of variable technique effectively handles the changing domain and boundary conditions. The numerical methods are demonstrated to be stable and convergent through careful numerical experiments. Simulation results for realistic pulsed liquid fluidized bed are provided and compared with experimental data. (C) 2004 Elsevier Ltd. All rights reserved.

Mode Simulation for Midinfrared Microsquare Resonators With Sloped Sidewalls and Confined Metals

EQUILATERAL-TRIANGLE; MU-M; LASERS; MICROLASERS; MICRODISK Abstract: Mode characteristics for midinfrared microsquare resonators with sloped sidewalls and confined metal layers are investigated by finite-difference time-domain (FDTD) techniques. For a microsquare with a side length of 10 mu m, the mode quality (Q)-factors of 8329, 4772, and 2053 are obtained for TM5,7 mode at wavelength 7.1 mu m by three-dimensional FDTD simulations, as the tilting angles of the side walls are 90 degrees, 88 degrees, and 86 degrees, respectively. Furthermore, microsquare resonators laterally surrounded by SiO2 and metal layers are investigated by the two-dimensional FDTD technique for the metal layers of Au, Ti-Au, Ag-Au, and Ti-Ag-Au, respectively.

Quantum mechanical simulation of nanosized metal-oxide-semiconductor field-effect transistor using empirical pseudopotentials: A comparison for charge density occupation methods

The atomistic pseudopotential quantum mechanical calculations are used to study the transport in million atom nanosized metal-oxide-semiconductor field-effect transistors. In the charge self-consistent calculation, the quantum mechanical eigenstates of closed systems instead of scattering states of open systems are calculated. The question of how to use these eigenstates to simulate a nonequilibrium system, and how to calculate the electric currents, is addressed. Two methods to occupy the electron eigenstates to yield the charge density in a nonequilibrium condition are tested and compared. One is a partition method and another is a quasi-Fermi level method. Two methods are also used to evaluate the current: one uses the ballistic and tunneling current approximation, another uses the drift-diffusion method. (C) 2009 American Institute of Physics. [doi:10.1063/1.3248262]

Burst Detection in Turbulent Channel Flows Based on Large Eddy Simulation Databases

Reliable turbulent channel flow databases at several Reynolds numbers have been established by large eddy simulation (LES), with two of them validated by comparing with typical direct numerical simulation (DNS) results. Furthermore, the statistics, such as velocity profile, turbulent intensities and shear stress, were obtained as well as the temporal and spatial structure of turbulent bursts. Based on the LES databases available, the conditional sampling methods are used to detect the structures of burst events. A method to deterimine the grouping parameter from the probability distribution function (pdf) curve of the time separation between ejection events is proposed to avoid the errors in detected results. And thus, the dependence of average burst period on thresholds is considerably weakened. Meanwhile, the average burst-to-bed area ratios are detected. It is found that the Reynolds number exhibits little effect on the burst period and burst-to-bed area ratio.

Effect of Rock Mass Structure and Block Size on the Slope Stability-Physical Modeling and Discrete Element Simulation

This paper studies the stability of jointed rock slopes by using our improved three-dimensional discrete element methods (DEM) and physical modeling. Results show that the DEM can simulate all failure modes of rock slopes with different joint configurations. The stress in each rock block is not homogeneous and blocks rotate in failure development. Failure modes depend on the configuration of joints. Toppling failure is observed for the slope with straight joints and sliding failure is observed for the slope with staged joints. The DEM results are also compared with those of limit equilibrium method (LEM). Without considering the joints in rock masses, the LEM predicts much higher factor of safety than physical modeling and DEM. The failure mode and factor of safety predicted by the DEM are in good agreement with laboratory tests for any jointed rock slope.

Direct Numerical Simulation of Passive Scalar in Decaying Compressible Turbulence

The passive scalars in the decaying compressible turbulence with the initial Reynolds number (defined by Taylor scale and RMS velocity) Re=72, the initial turbulent Mach numbers (defined by RMS velocity and mean sound speed) Mt=0.2-0.9, and the Schmidt numbers of passive scalar Sc=2-10 are numerically simulated by using a 7th order upwind difference scheme and 8th order group velocity control scheme. The computed results are validated with different numerical methods and different mesh sizes. The Batchelor scaling with k(-1) range is found in scalar spectra. The passive scalar spectra decay faster with the increasing turbulent Mach number. The extended self-similarity (ESS) is found in the passive scalar of compressible turbulence.