3D Simulation of Point Defect Migration in Ferroelectrics

Electric fatigue in functional materials involves a set of phenomena which lead to the degradation of materials with an increasing number of electrical cycles. Ionic and electronic charge carriers, later 0 as point defects, interact with each other and with microstructural elements in the bulk and with interfaces, which can lead to degradation, or finally to mechanical damage and dissociation reactions, see e.g. [1]. With this in mind, efforts are made to calculate the fields caused by point defects to simulate their interaction as well as to verify the used material parameters. Here, a material with linear electro mechanical coupling is used. The applied methods are integral transforms (Radon Transform) and a combination of Difference Methods and a Fast Fourier Transform to obtain solutions in an infinite domain and under periodic boundary conditions, respectively. The point defect interaction is studied within the framework of material or configurational forces. These forces are used in combination with reasonable kinetic laws to simulate defect migration, cf. [2]. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

一种3D仿真机房模型分析

本文讨论一种合理的绿色机房模型,求出了在不同的任务量、分配方式、空调风速和空调温度下机房的平均温度、热点、以及热分布和气流速度分布图。分别用人工神经网络和模拟仿真软件Airpak 软件建立模型分析空调的热分布。通过在Airpak中更改机柜发热功率、空调的送风温度、送风速度来模拟仿真不同情况下机房的热循环过程。最后进行改进和优化,使其能够适应更多情况和条件。     

Simulation of human ischemic stroke in realistic 3D geometry

In silico research in medicine is thought to reduce the need for expensive clinical trials under the condition of reliable mathematical models and accurate and efficient numerical methods. In the present work, we tackle the numerical simulation of reaction–diffusion equations modeling human ischemic stroke. This problem induces peculiar difficulties like potentially large stiffness which stems from the broad spectrum of temporal scales in the nonlinear chemical source term as well as from the presence of steep spatial gradients in the reaction fronts, spatially very localized. Furthermore, simulations on realistic 3D geometries are mandatory in order to describe correctly this type of phenomenon. The main goal of this article is to obtain, for the first time, 3D simulations on realistic geometries and to show that the simulation results are consistent with those obtain in experimental studies or observed on MRI images in stroke patients.For this purpose, we introduce a new resolution strategy based mainly on time operator splitting that takes into account complex geometry coupled with a well-conceived parallelization strategy for shared memory architectures. We consider then a high order implicit time integration for the reaction and an explicit one for the diffusion term in order to build a time operator splitting scheme that exploits efficiently the special features of each problem. Thus, we aim at solving complete and realistic models including all time and space scales with conventional computing resources, that is on a reasonably powerful workstation. Consequently and as expected, 2D and also fully 3D numerical simulations of ischemic strokes for a realistic brain geometry, are conducted for the first time and shown to reproduce the dynamics observed on MRI images in stroke patients. Beyond this major step, in order to improve accuracy and computational efficiency of the simulations, we indicate how the present numerical strategy can be coupled with spatial adaptive multiresolution schemes. Preliminary results in the framework of simple geometries allow to assess the proposed strategy for further developments.     

炸药爆轰物质点法三维数值模拟

炸药爆轰以及多点起爆所产生的爆轰波汇聚问题很难应用有限元法进行模拟分析,尤其当网格发生畸变时,导致有限元法计算效率和数值精度严重下降,甚至无法得到正确结果.为此,该文应用显式积分算法的物质点法对炸药两点起爆和按时间序列的多点起爆的爆轰过程进行数值模拟,与炸药爆轰的理论计算结果相吻合.物质点法不但可以有效地避免网格畸变问题,而且为炸药爆轰的数值模拟提供了新的思路.     

煤层压裂裂缝三维延伸模拟及产量预测研究

针对煤层气井的压裂特点和产出机理,综合应用流体力学、线弹性断裂力学、传热学、计算数学和软件工程等方面的知识,提出了煤层压裂裂缝三维延伸模型和产量动态预测模型,其中裂缝三维延伸模型考虑了煤层、上下遮挡层之间的地应力和岩石力学参数变化的影响,产量动态预测模型考虑了煤层气先解吸扩散后渗流入井的产出机理。在此基础上研制了煤层气井三维压裂优化设计软件,并通过实例计算验证了其实用性和可靠性。     

三维矩形槽道中颗粒沉降的数值模拟

采用三维格子Boltzmann方法对矩形通道中的颗粒沉降进行了模拟研究．单颗粒沉降的模拟结果表明,颗粒最终的稳定沉降位置沿槽道中心线,不受颗粒初始位置和直径的影响．颗粒和壁面之间的两体相互效应可以用无因次沉降速度定量描述,无因次沉降速度的模拟结果和实验结果定量上吻合一致．模拟分析了双颗粒沉降的DKT（drafting, kissing and tumbling）过程,探讨了颗粒直径比以及壁面效应对DKT过程的影响．模拟发现当颗粒直径相同时,双颗粒的沉降过程为周期性的DKT过程,从而形成双螺旋形式的沉降轨迹,此螺旋沉降轨迹的频率和振幅受颗粒初始位置影响．从模拟结果中还得到颗粒群的最终稳定构型,并进行了构型对比分析．最后对包含49个颗粒的颗粒群沉降行为进行了模拟,说明多体相互作用在对称性的情况下可以简化．     

基于三维CFD-DEM的多孔介质流场数值模拟

将多孔介质局部细观流动与基于Darcy定律的宏观物理模型相结合,应用三维CFD-DEM对多孔介质流场进行局部细观数值模拟,得到多孔介质的惯性阻力系数和粘性阻力系数.并将其作为参数提供给基于Darcy定律的CFD多孔介质模型,从而可用于更大规模的多孔介质流场计算.应用Voronoi多面体作为网格单元,解决了CFD DEM中网格孔隙率精确计算的困难.文中发展的多尺度结合应用的研究方法,在计算精度和计算效率的矛盾中找到了较好的平衡,对于工程应用而言,有节约实验成本、提高计算结果可靠性的功效.     

A Co-Simulation Approach for the 3D Dynamic Simulation of Vehicles Considering Sloshing in Cargo and Fuel Tanks

The sloshing of liquids in cargo and fuel tanks mounted on vehicles can have a significant influence on the vehicle's driving dynamics and stability. To evaluate and optimize the quality of tank designs, we propose a co-simulation approach that consists of a coupled multibody system simulation for the vehicle and a Discrete Element Method and Smoothed Particle Hydrodynamics simulation for the sloshing cargo. This approach is beneficial especially for the simulation of fluid cargos, as Smoothed Particle Hydrodynamics does not require additional models to track and reconstruct free fluid surfaces. By means of dynamic 3D simulations of a double lane change maneuvers we compare the two different cargo models and demonstrate the viability of the co-simulation approach. (© 2009 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Simulation study of dissimilarity between point process

The spatial distributions of two species of tree result in a bivariate pattern. This pattern characterizes biological mechanism involved within a forest with the spatial localization of the trees. If we consider simultaneously two species, the main question is not to describe the marginal distribution of each species but to describe the relationship between the repartitions of the two species under study. The relationship between two clouds of points can be described in various ways and therefore many indices can be defined. Each index will give a specific information about these relationships and will greatly depends on the ecological mechanisms, i.e., the point process that leads to the observed repartition. The aim of this article is to review the leading indices in ecology and to provide guidelines for practical use. To mimic ecological situations, we simulated 13 point process that can model classical relationships between two species of trees and compute nine classical indices. The interest of the various indices are discussed. A R package for simulating the point process and to compute the indices is available on request. The package is available upon request at picard@cirad.fr or avner@inapg.fr     

Nonlinear Dynamics of the 3D Pendulum

A 3D pendulum consists of a rigid body, supported at a fixed pivot, with three rotational degrees of freedom. The pendulum is acted on by a gravitational force. 3D pendulum dynamics have been much studied in integrable cases that arise when certain physical symmetry assumptions are made. This paper treats the non-integrable case of the 3D pendulum dynamics when the rigid body is asymmetric and the center of mass is distinct from the pivot location. 3D pendulum full and reduced models are introduced and used to study important features of the nonlinear dynamics: conserved quantities, equilibria, relative equilibria, invariant manifolds, local dynamics, and presence of chaotic motions. The paper provides a unified treatment of the 3D pendulum dynamics that includes prior results and new results expressed in the framework of geometric mechanics. These results demonstrate the rich and complex dynamics of the 3D pendulum.     

Using 3D Animation Techniques to Help with the Experimental Design and Analysis Phase of a Visual Interactive Simulation Project

This paper describes an interactive 3D animation approach that may help with the investigation, understanding and interpretation of results for a Visual Interactive Simulation (VIS) project. The method uses a graphics algorithm to draw on a computer screen ‘3D contour maps’ which show the response of a simulation model to changes in its input parameters. A previous paper showed that it is possible for a neural network to learn the response of a simulation. This paper shows that the speed of response of a neural network can be exploited so that 3D animation sequences of the simulation's results can be produced. It is possible to rotate the ‘3D contour map’, zoom, pan, or generally view the projection from different perspectives. Two example problems are described. The paper suggests that this approach can further improve the quality of VIS by being able to give comprehensive graphic 3D sensitivity analyses to the original problem under investigation.     

Elaboration of the Fast Boundary Element Method for 3D Simulation of the Dynamics of a Bubble Cluster with Solid Particles in an Acoustic Field

Computational Mathematics and Mathematical Physics - An efficient numerical approach to the study of the dynamics of a cluster containing bubbles and solid particles under the action of an acoustic...     

On the Ghost Forces in 3D Quasicontinuum Model

In this contribution, we propose an intuitive explanation for the artificial effect, named as ghost force, that arises in the coupling region of a multiscale method, known as Quasicontinuum method, and introduce a simple technique that can be used to reduce this ghost force. (© 2009 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Minimal enclosing parallelepiped in 3D

We investigate the problem of finding a minimal volume parallelepiped enclosing a given set of n three-dimensional points. We give two mathematical properties of these parallelepipeds, from which we derive two algorithms of theoretical complexity O(n⁶). Experiments show that in practice our quickest algorithm runs in O(n²) (at least for n10⁵). We also present our application in structural biology.     

Conforming Delaunay triangulations in 3D

We describe an algorithm which, for any piecewise linear complex (PLC) in 3D, builds a Delaunay triangulation conforming to this PLC. The algorithm has been implemented, and yields in practice a relatively small number of Steiner points due to the fact that it adapts to the local geometry of the PLC. It is, to our knowledge, the first practical algorithm devoted to this problem.     

3D打印中的优化设计

3D打印技术的兴起在许多领域掀起了新的研究热点,《3D打印中的优化设计》应用课题针对几何处理领域中的许多相关问题做了系统性的研究,其中包括在3D打印中通过几何模型的结构优化以节省打印材料和打印时间的问题,三维几何模型保持特征的去噪和构建问题,以及三维几何模型的序贯重建和多余分支去除问题.相关问题中多涉及含有复杂约束的优化问题,以及压缩感知和稀疏优化问题.本文简要总结了上述问题的研究方法,并从几何优化的角度阐述了其中运筹学原理与方法的运用,表明了运筹学工具在相关领域研究中的重要性和有效性.     

Transport in 3D volume-preserving flows

Summary The idea of surfaces of locally minimal flux is introduced as a key concept for understanding transport in steady three-dimensional, volume-preserving flows. Particular attention is paid to the role of the skeleton formed by the equilibrium points, selected hyperbolic periodic orbits and cantori and connecting orbits, to which many surfaces of locally minimal flux can be attached. Applications are given to spheromaks (spherical vortices) and eccentric Taylor-Couette Flow.     

Cyclic cellular automata in 3D

Cyclic cellular automata in two dimensions have long been intriguing because they self organize into spirals and that behavior can be analyzed. The form for the patterns that develop is highly dependent upon the form of the neighborhood. We extend this work to three dimensional cyclic cellular automata and observe self organization dependent upon the neighborhood type. This includes neighborhood types intermediate between Von Neumann and Moore neighborhoods. We also observe that the patterns include nested shells with the appropriate forms but that the nesting is far more complex than the spirals that occur in two dimensions.     

Numerical Simulation and analysis of molten flow in the shot sleeve of die casting process

This work presents a numerical study of the flow of molten metal in the shot sleeve of horizontal high-pressure die casting machine during the injection process. The analysis of the wave of the molten metal created by plunger motion can be of help in reducing porosity in manufactured parts caused by air entrapment. The used numerical model, which considers the problem as two-dimensional, is based on the conservation equations of mass and momentum. (© 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)