3D Finite Volume Scheme for Czochralski Single Crystal Growth

Czochralski (Cz) technique, which is used for growing single crystals, has dominated the production of single crystals for electronic applications. The Cz growth process involves multiple phases, moving interface and three-dimensional behavior. Much has been done to study these phenomena by means of numerical methods as well as experimental observations. A three-dimensional curvilinear finite volume based algorithm has been developed to model the Cz process. A body-fitted transformation based approach is adopted in conjunction with a multizone adaptive grid generation (MAGG) technique to accurately handle the three-dimensional problems of phase-change in irregular geometries with free and moving surfaces. The multizone adaptive model is used to perform a three-dimensional simulation of the Cz growth of silicon single crystals.Since the phase change interface are irregular in shape and they move in response to the solution, accurate treatment of these interfaces is important from numerical accuracy point of view. The multizone adaptive grid generation (MAGG) is the appropriate scheme for this purpose. Another challenge encountered is the moving and periodic boundary conditions, which is essential to the numerical solution of the governing equations. Special treatments are implemented to impose the periodic boundary condition in a particular direction and to determine the internal boundary position and shape varying with the combination of ambient physicochemical transport process and interfacial dynamics. As indicated above that the applications and processes characterized by multi-phase, moving interfaces and irregular shape render the associated physical phenomena three-dimensional and unsteady. Therefore a generalized 3D model rather than a 2D simulation, in which the governing equations are solved in a general non-orthogonal coordinate system, is constructed to describe and capture the features of the growth process. All this has been implemented and validated by using it to model the low pressure Cz growth of silicon. Accuracy of this scheme is demonstrated by agreement of simulation data with available experimental data. Using the quasi-steady state approximation, it is shown that the flow and temperature fields in the melt under certain operating conditions become asymmetric and unsteady even in the absence of extrinsic sources of asymmetry. Asymmetry in the flow and temperature fields, caused by high shear initiated phenomena, affects the interface shape in the azimuthal direction thus results in the thermal stress distribution in the vicinity, which has serious implications from crystal quality point of view.

工程地质三维可视化技术及其工程应用研究

Study of 3D visualization technology of engineering geology and its application to engineering is a cross subject which includes geosciences, computer, software and information technology. Being an important part of the secondary theme of National Basic Research Program of China (973 Program) whose name is Study of Multi-Scale Structure and Occurrence Environment of Complicated Geological Engineering Mass(No.2002CB412701), the dissertation involves the studies of key problems of 3D geological modeling, integrated applications of multi-format geological data, effective modeling methods of complex approximately layered geological mass as well as applications of 3D virtual reality information management technology.The main research findings are listed below:Integrated application method of multi-format geological data is proposed,which has solved the integrated application of drill holes, engineering geology plandrawings, sectional drawings and cutting drawings as well as exploratory trenchsketch. Its application can provide as more as possible fundamental data for 3Dgeological modeling.A 3D surface construction method combined Laplace interpolation points withoriginal points is proposed, so the deformation of 3D model and the crossing error ofupper and lower surface of model resulted from lack of data when constructing alaminated stratum can be eliminated.3D modeling method of approximately layered geological mass is proposed,which has solved the problems of general modeling method based on the sections or points and faces when constructing terrain and concordant strata.The 3D geological model of VII dam site of Xiangjiaba hydropower stationhas been constructed. The applications of 3D geological model to the auto-plotting ofsectional drawing and the converting of numerical analysis model are also discussed.3D virtual reality information integrated platform is developed, whose mostimportant character is that it is a software platform having the functions of 3D virtualreality flying and multi-format data management simultaneously. Therefore, theplatform can load different 3D model so as to satisfy the different engineeringdemands.The relics of Aigong Cave of Longyou Stone Caves are recovered. Thereinforcement plans of 1# and 2# cave in phoenix hill also be expressed. The intuitiveexpression provided decision makers and designers a very good environment.The basic framework and specific functions of 3D geological informationsystem are proposed.The main research findings in the dissertation have been successfully applied to some important engineering such as Xiangjiaba hydropower station, a military airport and Longyou Stone Caves etc.

The Size-Dependent Elastic Properties of Nanofilms with Surface Effects

Size-dependent elastic constants are investigated theoretically with reference to a nanoscale single-crystal thin film. A three-dimensional _3D_ model is presented with the relaxation on the surface of the nanofilm taken into consideration. The constitutive relation of the 3D model is derived by using the energy approach, and analytical expressions for the four nonzero elastic constants of the nanofilm are obtained. The size effects of the four elastic constants are then discussed, and the dependence of these elastic constants on the surface relaxation and the ambiguity in the definition of the thickness of the nanofilm are also analyzed. In addition, the elastic moduli of the nanofilm in two kinds of plane problem are obtained and discussed in the case of a special boundary condition.

金川镍矿岩体移动与开采稳定性研究

The two major issues in mining industry are work safety and protection of ground environment when carrying on underground mining activities. Cut-and-fill mining method is increasingly applied in China owing to its advantages of controlling ground pressure and protecting the ground environment effectively. However, some cut-and-fill mines such as Jinchuan nickel mine which has big ore body, broken rock mass and high geostress have unique characteristics on the law of ground pressure and rock mass movement that distinguish from other mining methods. There are still many problems unknown and it is necessary for the further analysis. In this dissertation, vast field survey, geology trenching and relative data analysis are carried out. The distribution of ground fissures and the correlation of the fissures with the location of underground ore body is presented. Using of monitoring data by three-dimension fissure meter and GPS in Jinchuan Deposit Ⅱ, the rule of the surface deformation and the reason of ground fissures generation are analyzed. It is shown that the stress redistribution in surrounding rocks resulting from mining, the existence of the void space underground and the influence of on-going mining activities are three main reasons for the occurrence of ground fissures. Based on actual section planes of No.1 ore body, a large-scale 3D model is established. By this model, the complete process of excavation and filling is simulated and the law of rock mass movement and stability caused by Cut-and-fill Mining is studied. According to simulation results, it is concluded that the deformation of ground surface is still going on developing; the region of subsidence on the ground surface is similar with a circle; the area on the hanging wall side is larger than one on the lower wall side; the contour plots show the centre of subsidence lay on the hanging wall side and the position is near the ore body boundary of 1150m and 1250m where ore body is the thickest. Along strike-line of Jinchuan Deposit Ⅱ, the deformation at the middle of filling body is larger than that in the two sides. Because of the irregular ore body, stress concentrates at the boundary of ore body. With the process of excavation and filling, the high stress release and the stress focus disappear on the hanging wall side. The cut-and-fill mechanism is studied based on monitoring data and numerical simulation. The functions of filling body are discussed. In this dissertation, it is concluded that the stress of filling body is just 2MPa, but the stress of surrounding rock mass is 20MPa. We study the surface movement influenced by the elastic modulus of backfill. The minimal value of the elastic modulus of backfill which can guarantee the safety production of cut-and-fill mine is obtained. Finally, based on the real survey results of the horizontal ore layer and numerical simulation, it is indicated that the horizontal ore layer has destroyed. Key words: cut-and-filling mining, 3D numerical simulation, field monitoring, rock mass movement, cut-and-filling mechanism, the elastic modulus of backfill, the horizontal ore layer

二氧化碳在孔隙咸水层中多相流动数值模拟研究

There has been a growing concern about the use of fossil fuels and its adverse effects on the atmospheric greenhouse and ecological environment. A reduction in the release rate of CO2 into the atmosphere poses a major challenge to the land ecology of China. The most promising way of achieving CO2 reduction is to dispose of CO2 in deep saline aquifers. Deep aquifers have a large potential for CO2 sequestration in geological medium in terms of volume and duration. Through the numerical simulation of multiphase flow in a porous media, the transformation and motion of CO2 in saline aquifers has been implemented under various temperature and hydrostatic pressure conditions, which plays an important role to the assessment of the reliability and safety of CO2 geological storage. As expected, the calculated results can provide meaningful and scientific information for management purposes. The key problem to the numerical simulation of multiphase flow in a porous media is to accurately capture the mass interface and to deal with the geological heterogeneity. In this study, the updated CE/SE (Space and time conservation element and solution element) method has been proposed, and the Hybrid Particle Level Set method (HPLS) has extended for multiphase flows in porous medium, which can accurately trace the transformation of the mass interface. The benchmark problems have been applied to evaluate and validate the proposed method. In this study, the reliability of CO2 storage in saline aquifers in Daqingzi oil field in Sunlong basin has been discussed. The simulation code developed in this study takes into account the state for CO2 covering the triple point temperature and pressure to the supercritical region. The geological heterogeneity has been implemented, using the well known geostatistical model (GSLIB) on the base of the hard data. The 2D and 3D model have been set up to simulate the CO2 multiphase flow in the porous saline aquifer, applying the CE/SE method and the HPLS method .The main contents and results are summarized as followings. (1) The 2D CE/SE method with first and second –order accuracy has been extended to simulate the multiphase flow in porous medium, which takes into account the contribution of source and sink in the momentum equation. The 3D CE/SE method with the first accuracy has been deduced. The accuracy and efficiency of the proposed CE/SE method have been investigated, using the benchmark problems. (2) The hybrid particle level set method has been made appropriate and extended for capturing the mass interface of multiphase flows in porous media, and the numerical method for level set function calculated has been formulated. (3) The closed equations for multiphase flow in porous medium has been developed, adept to both the Darcy flow and non-Darcy flow, getting over the limitation of Reynolds number to the calculation. It is found that Darcy number has a decisive influence on pressure as well as velocity given the Darcy number. (4) The new Euler scheme for numerical simulations of multiphase flows in porous medium has been proposed, which is efficient and can accurately capture the mass interface. The artificial compressibility method has been used to couple the velocities and pressure. It is found that the Darcy number has determinant effects on the numerical convergence and stability. In terms of the different Darcy numbers, the coefficient of artificial compressibility and the time step have been obtained. (5) The time scale of the critical instability for critical CO2 in the saline aquifer has been found, which is comparable with that of completely CO2 dissolved saline aquifer. (6) The concept model for CO2 multiphase flows in the saline aquifer has been configured, based on the temperature, pressure, porosity as well as permeability of the field site .Numerical simulation of CO2 hydrodynamic trapping in saline aquifers has been performed, applying the proposed CE/SE method. The state for CO2 has been employed to take into account realistic reservoir conditions for CO2 geological sequestration. The geological heterogeneity has been sufficiently treated , using the geostatistical model. (7) It is found that the Rayleigh-Taylor instability phenomenon, which is associated with the penetration of saline fluid into CO2 fluid in the direction of gravity, has been observed in CO2 multiphase flows in the saline aquifer. Development of a mushroom-type spike is a strong indication of the formation of Kelvin-Helmholtz instability due to the developed short wavelength perturbations present along the interface and parallel to the bulk flow. Additional key findings: the geological heterogeneity can distort the flow convection. The ascending of CO2 can induce the persistent flow cycling effects. The results show that boundary conditions of the field site have determinant effects on the transformation and motion of CO2 in saline aquifers. It is confirmed that the proposed method and numerical model has the reliability to simulate the process of the hydrodynamic trapping, which is the controlling mechanism for the initial period of CO2 storage at time scale of 100 years.

胜利油田低渗透砂岩油藏非均质地质建模

Guided by geological theories, the author analyzed factual informations and applied advanced technologies including logging reinterpretation, predicting of fractal-based fracture network system and stochastic modeling to the low permeable sandstone reservoirs in Shengli oilfield. A new technology suitable for precious geological research and 3D heterogeneity modeling was formed through studies of strata precious correlation, relation between tectonic evolution and fractural distribution, the control and modification of reservoirs diagenesis, logging interpretation mathematical model, reservoir heterogeneity, and so on. The main research achievements are as follows: (1) Proposed four categories of low permeable reservoirs, which were preferable, general, unusual and super low permeable reservoir, respectively; (2) Discussed ten geological features of the low permeable reservoirs in Shengli area; (3) Classified turbidite fan of Es_3 member of the Area 3 in Bonan oilfield into nine types of lithological facies, and established the facies sequences and patterns; (4) Recognized that the main diagenesis were compaction, cementation and dissolution, among which the percent compaction was up to 50%~90%; (5) Divided the pore space in ES_3 member reservoir into secondary pores with dissolved carbonate cement and residual intergranular pores strongly compacted and cemented; (6) Established logging interpretation mathematical model guided by facies- control modeling theory; (7) Predicted the fracture distribution in barriers using fractal method; (8) Constructed reservoir structural model by deterministic method and the 3D model of reservoir parameters by stochastic method; (9) Applied permeability magnitudes and directions to describe the fractures' effect on fluid flow, and presented four different fractural configurations and their influence on permeability; (10) Developed 3D modeling technology for the low permeable sandstone reservoirs. The research provided reliable geological foundation for the establishment and modification of development plans in low permeable sandstone reservoirs, improved the development effect and produced more reserves, which provided technical support for the stable and sustained development of Shengli Oilfield.

板北断块油藏储层均质特征与剩余油分布研究

With the growing development and perfection of reservoir describing technology, its research achievements have played an increasingly important role in old oilfields in recent years. Reservoir description quantitatively describes, characterizes and predicts every kind of reservoir characters in 3D space. The paper takes Banbei block reservoir as an object, studies the reservoir characters and residual oil distributing characteristics of gravity flow genetic reservoir, and definitudes potential adjustment direction of reservoir development. Main achievements are gained as follows. Through fine correlation of strati graphic sequence, the classification of layers and single sands of main payzones in Banbei block is ascertained, the classifying methods of sedimentary unit in gravity flow reservoir characterized with picked cyclical marker bed are formed. On the basis of comprehensive logging evaluation, depositional characters of Banbei block are studied, and classifying methods of sedimentary microfacies in gravity flow reservoir are described. The sedimentary background of main oil layers in Banbei block is open lake with shallow water, and belongs to lacustrine underwater gravity flow- lacustrine phase depositional system. Main microfacies types are underwater water course^ water course side-wing, underwater floodplain, between two water courses, and lacustrine mud, etc. Reservoir sands mainly are underwater water course sands. Influenced by distributing characters of gravity flow underwater water course, sand shapes in plane mainly are stripe, finger-shape, tongue-shape. Sand distribution shows obvious split property. Sands overlap each other. According to comprehensive analysis of lithologic data, logging parameters, and dynamic production data, the researching threads and methods of reservoir heterogeneous characters are perfected. The depositional characters of gravity flow underwater water course in Banbei block determine its high reservoir heterogeneity. Macroscopic heterogeneity is studied in many aspects such as the scale of layers, the scale of single sands, in-situ scale, the distribution of interlayer types, the interlayer scale, and heterogeneity in plane. Thus, heterogeneous characters of reservoir are thoroughly analyzed. Through microscopic research of reservoir, the types of porous structure and related parameters are determined. According to the analysis of dynamic production data, the reaction and inner influential factors of reservoir heterogeneity in waterflood development are further revealed. Started with the concept and classifying methods of flow unit, clustering classification which can better meet the requirements of production is formed. The flow unit of Banbei block can be classified into four types. According to comprehensive evaluation, the first and second type of flow unit have better percolating capability and reserving capability. Research thread of 3D model-building and reservoir numerical simulation combined as an integral is adopted. The types and characters of residual oil distribution are determined. Residual oil of Banbei block mainly distributes in the boundary of sands, near the faults, areas with non-perfect injection-production well pattern , undeveloped sands, vertically poor developed layers. On the basis of comprehensive reservoir study, the threads and methods of improving development effect towards reservoir with high water cut, high recovery percent, serious heterogeneity are ascertained. The whole waterflood development effect of Banbei block reservoir is good. Although its water cut and recovery percent is relatively high, there is still some potential to develop. According to depositional characters of gravity flow and actual production situation? effective means of further improving development level are as follows. We should drill new wells in every kind of areas abounding with residual oil, implement comprehensive measures such as increasing liquid discharge, cyclic waterflood, changing fluid direction when injection-production well pattern is perfected, improve water quality, enhance displacement efficiency in flooding.

3D Anisotropic Elastoplastic-Damage Model and its Application in Simulating the Behavior of Rock Materials

A 3D anisotropic elastoplastic-damage model was presented based on continuum damage mechanics theory. In this model, the tensor decomposition technique is employed. Combined with the plastic yield rule and damage evolution, the stress tensor in incremental format is obtained. The derivate eigenmodes in the proposed model are assumed to be related with the uniaxial behavior of the rock material. Each eigenmode has a corresponding damage variable due to the fact that damage is a function of the magnitude of the eigenstrain. Within an eigenmodes, different damage evolution can be used for tensile and compressive loadings. This model was also developed into finite element code in explicit format, and the code was integrated into the well-known computational environment ABAQUS using the ABAQUS/Explicit Solver. Numerical simulation of an uniaxial compressive test for a rock sample is used to examine the performance of the proposed model, and the progressive failure process of the rock sample is unveiled.

co-creativepen toolkit: a pen-based 3d toolkit for children cooperatly designing virtual environment

Co-CreativePen Toolkit is a pen-based 3D toolkit for children cooperatly designing virtual environment. This toolkit is used to construct different applications involved with distributedpen-based 3D interaction. In this toolkit,sketch method is encapsulated as kinds of interaction techniques. Children can use pen to construct 3D and IBR objects, to navigate in the virtual world, to select and manipulate virtual objects, and to communicate with other children. Children can use pen to select other children in the virtual world, and use pen to write message to children selected The distributed architecture of Co-CreativePen Toolkit is based on the CORBA. A common scene graph is managed in the server with several copies of this graph are managed in every client.Every changes of the scene graph in client will cause the change in the server and other client.

3D simulation of the micro indentation process and relative problems research

In this paper the finite element method was used to simulate micro-scale indentation process. The several standard indenters were simulated with 3D finite element model. The emphasis of this paper was the differences between 2D axisymmetric cone model and

3D Finite Volume Scheme for Czochralski Crystal Growth

A general three-dimensional model is developed for simulation of the growth process of silicon single crystals by Czochralski technique. The numerical scheme is based on the curvilinear non-orthogonal finite volume discretization. Numerical solutions show that the flow and temperature fields in the melt are asymmetric and unsteady for 8’’ silicon growth. The effects of rotation of crystal on the flow structure are studied. The rotation of crystal forms the Ekman layer in which the temperature gradient along solid/melt surface is small.

Numerical Analysis of the Effects of Free-Stream Thermo-Chemical State on the Test Model Flow Field in High-Enthalpy Tunnel

The effects of the free-stream thermo-chemical state on the test model flow field in the high-enthalpy tunnel are studied numerically. The properties of the free-stream, which is in thermo-chemical non-equilibrium, are determined by calculating the nozzle flow field. A free-stream with total enthalpy equal to the real one in the tunnel while in thermo-chemical equilibrium is constructed artificially to simulate the natural atmosphere condition. The flow fields over the test models (blunt cone and Apollo command capsule model) under both the non-equilibrium and the virtual equilibrium free-stream conditions are calculated. By comparing the properties including pressure, temperature, species concentration and radiation distributions of these two types of flow fields, the effects of the non-equilibrium state of the free-stream in the high-enthalpy shock tunnel are analyzed.

Comparisons of static, quasi-static and dynamic 3D porous media scale network models for two-phase immiscible flow in porous media

A dynamic 3D pore-scale network model is formulated for investigating the effect of interfacial tension and oil-water viscosity during chemical flooding. The model takes into account both viscous and capillary forces in analyzing the impact of chemical properties on flow behavior or displacement configuration, while the static model with conventional invasion percolation algorithm incorporates the capillary pressure only. From comparisons of simulation results from these models. it indicates that the static pore scale network model can be used successfully when the capillary number is low. With the capillary increases due to the enhancement of water viscosity or decrease of interfacial tension, only the quasi-static and dynamic model can give insight into the displacement mechanisms.

A Trabecular Bone Explant Model of Osteocyte–Osteoblast Co-Culture for Bone Mechanobiology

The osteocyte network is recognized as the major mechanical sensor in the bone remodeling process, and osteocyte-osteoblast communication acts as an important mediator in the coordination of bone formation and turnover. In this study, we developed a novel 3D trabecular bone explant co-culture model that allows live osteocytes situated in their native extracellular matrix environment to be interconnected with seeded osteoblasts on the bone surface. Using a low-level medium perfusion system, the viability of in situ osteocytes in bone explants was maintained for up to 4 weeks, and functional gap junction intercellular communication (GJIC) was successfully established between osteocytes and seeded primary osteoblasts. Using this novel co-culture model, the effects of dynamic deformational loading, GJIC, and prostaglandin E-2 (PGE(2)) release on functional bone adaptation were further investigated. The results showed that dynamical deformational loading can significantly increase the PGE(2) release by bone cells, bone formation, and the apparent elastic modulus of bone explants. However, the inhibition of gap junctions or the PGE(2) pathway dramatically attenuated the effects of mechanical loading. This 3D trabecular bone explant co-culture model has great potential to fill in the critical gap in knowledge regarding the role of osteocytes as a mechano-sensor and how osteocytes transmit signals to regulate osteoblasts function and skeletal integrity as reflected in its mechanical properties.

Molecular docking and 3D-QSAR study of pyranmycin derivatives against 16S rRNA A site

To understand pharmacophore properties of pyranmycin derivatives and to design novel inhibitors of 16S rRNA A site, comparative molecular field analysis (CoMFA) approach was applied to analyze three-dimensional quantitative structure-activity relationship (3D-QSAR) of 17 compounds. AutoDock 3.0.5 program was employed to locate the orientations and conformations of the inhibitors interacting with 16S rRNA A site. The interaction mode was demonstrated in the aspects of inhibitor conformation, hydrogen bonding and electrostatic interaction. Similar binding conformations of these inhibitors and good correlations between the calculated binding free energies and experimental biological activities suggest that the binding conformations of these inhibitors derived from docking procedure were reasonable. Robust and predictive 3D-QSAR model was obtained by CoMFA with q(2) values of 0.723 and 0.993 for cross-validated and noncross-validated, respectively. The 3D-QSAR model built here will provide clear guidelines for novel inhibitors design based on the Pyranmycin derivatives against 16S rRNA A site. (c) 2005 Elsevier B.V. All rights reserved.