Accelerating geoscience and engineering system simulations on graphics hardware

Many complex natural systems studied in the geosciences are characterized by simple local-scale interactions that result in complex emergent behavior. Simulations of these systems, often implemented in parallel using standard central processing unit (CPU) clusters, may be better suited to parallel processing environments with large numbers of simple processors. Such an environment is found in graphics processing units (GPUs) on graphics cards.This paper discusses GPU implementations of three example applications from computational fluid dynamics, seismic wave propagation, and rock magnetism. These candidate applications involve important numerical modeling techniques, widely employed in physical system simulations, that are themselves examples of distinct computing classes identified as fundamental to scientific and engineering computing. The presented numerical methods (and respective computing classes they belong to) are: (1) a lattice-Boltzmann code for geofluid dynamics (structured grid class); (2) a spectral-finite-element code for seismic wave propagation simulations (sparse linear algebra class); and (3) a least-squares minimization code for interpreting magnetic force microscopy data (dense linear algebra class). Significant performance increases (between 10× and 30× in most cases) are seen in all three applications, demonstrating the power of GPU implementations for these types of simulations and, more generally, their associated computing classes.     

The evaluation of cluster policy by fuzzy MCDM: Empirical evidence from HsinChu Science Park

In the recent years, industrial clusters have received considerable attention from economists and industrial analysts, because they are seen as the main reason for economic growth and success of certain economic region. This study systematically reviews past researches of industrial cluster. The purpose of this paper is to contribute to the understanding of this issue regarding the driving forces for the growth of industrial cluster and find out the priority among these cluster policies. Taiwan HsinChu Science Park is a prime example for this paper, and its connection with the innovative participators. We begin with an examination of the literature on cluster about its driving forces and policies upon which we propose a conceptual framework. In doing so, we explore the cluster-based industrial system. Then this research adopts the Fuzzy Analytic Hierarchy Process as the analytical tool. The Fuzzy Analytic Hierarchy Process method is used to determine the weightings for evaluation dimension among decision makers. From our research results, the Factor Conditions is the most important driving force for advancing the industrial cluster performance. Moreover, the promotion of international linkages policy and broader framework policies rank the first two priorities for cluster policy. Overall, this paper concludes with some simulations of cluster policy alternatives confronting the industry and the Taiwanese government.     

冲击作用下碳纤维混凝土的力敏性试验研究

碳纤维混凝土(CFC)具有良好的力敏特性,能制成传感器用于混凝土结构的状态监测.利用钢球自由落体撞击圆柱形试样,进行了老化前后和不同撞击高度的试验,并分析了各因素对试样力敏性的影响.试验结果表明:试样的电阻变化对冲击作用响应快;老化前的试样在承载较小时,试样处于弹性区,电阻随压力增大而减小,承载较大时,试样进入弹塑性区,电阻随压力增大而增大;老化后的试样,承载即进入弹塑性区.     

BLDCM新型滑模观测器的无位置传感器控制

针对传统滑模观测器(SMO)抖振和相位延迟问题,提出了一种新型滑模观测器来获取无刷直流电机(BLDCM)反电动势(back-EMF),无需额外增加低通滤波器即能得到光滑的反电动势估计值.由反电动势估计值能够直接计算出转子位置角和转速.根据转子位置角和滞环控制器的输出来选择适当的电压空间矢量,实现无位置传感器控制,并根据转速和反电动势估计值计算转矩.最后,将该滑模观测器用于无磁链环直接转矩控制(DTC)中.实验结果验证了方案的可行性.     

IM-UFF: Extending the universal force field for interactive molecular modeling

The universal force field (UFF) is a broadly applicable classical force field that contains parameters for almost every atom type of the periodic table. This force field is non-reactive, i.e. the topology of the system under study is considered as fixed and no creation or breaking of covalent bonds is possible. This paper introduces interactive modeling-UFF (IM-UFF), an extension of UFF that combines the possibility to significantly modify molecular structures (as with reactive force fields) with a broad diversity of supported systems thanks to the universality of UFF. Such an extension lets the user easily build and edit molecular systems interactively while being guided by physics based inter-atomic forces. This approach introduces weighted atom types and weighted bonds, used to update topologies and atom parameterizations at every time step of a simulation. IM-UFF has been evaluated on a large set of benchmarks and is proposed as a self-contained implementation integrated in a new module for the SAMSON software platform for computational nanoscience available at http://www.samson-connect.net.     

复杂结构井钻压值的有限元数值计算

通常,钻井过程中钻杆自重生成的钻杆轴向力即钻压的计算是通过解析方法计算的.由于接触条件复杂,钻杆与井壁及套管接触产生的摩擦力一般通过简化的经验系数计入.随着水平井等复杂结构井的普及,解析方法得到的钻杆轴向力的结果误差逐渐明显,不能满足实际需要.因此,采用三维有限元法计算钻杆自重生成的钻杆轴向力即钻压值.模型采用管单元模拟套管和钻柱,并在钻杆与井壁之间设置专门模拟管-管相互作用的ITT摩擦接触单元,判断钻柱与套管和井壁的接触状态,可以准确计算钻杆全长沿井轴方向的轴向力、轴向摩擦力及其引起的钻压变化.在钻杆全长的整体力学行为的有限元计算中,还可以考虑钻杆的屈曲问题.结果表明:有限元法是正确设计钻压的有效理论工具.该数值结果为正确设计钻杆尺寸、得到理想的钻压值提供成功的例子.     

基于轮心六分力的载荷分解方法

用Adams建立车辆虚拟样机,根据获取的真实道路轮心六分力结果,使车辆虚拟模型的载荷结果逼近真实道路情况,实现虚拟样机重现实际道路的过程,进而获取车身及其零部件的道路谱疲劳载荷,并为疲劳分析提供载荷输入.     

紧固件稳健性设计对动力总成悬置强度影响

在动力总成悬置的开发过程中,悬置支架分析计算满足设计要求,但台架和路试中却出现断裂的情况时有发生,紧固件是影响其计算精度的重要因素之一.通过有限元法研究紧固件安装顺序对发动机悬置仿真精度的影响;通过六西格玛方法研究紧固件的稳健性设计对发动机悬置仿真精度的影响;基于所得出的结论对悬置支架进行方案优化,并对优化后的结果进行仿真和试验验证,结果表明在发动机悬置的设计中夹紧力对仿真精度有重要影响.对采用六西格玛设计的最小紧固件加紧力进行仿真计算是一种最稳健的设计.     

A modern workflow for force-field development – Bridging quantum mechanics and atomistic computational models

In this article we present our recent efforts in designing a comprehensive consistent scientific workflow, nicknamed Wolf₂ Pack, for force-field optimization in the field of computational chemistry. Atomistic force fields represent a multiscale bridge that connects high-resolution quantum mechanics knowledge to coarser molecular mechanics-based models. Force-field optimization has so far been a time-consuming and error-prone process, and is a topic where the use of a scientific workflow can provide obvious great benefits. As a case study we generate a gas-phase force field for methanol using Wolf₂ Pack, with special attention given toward deriving partial atomic charges.     

Interactive blood-coil simulation in real-time during aneurysm embolization

Over the last decade, remarkable progress has been made in the field of endovascular treatment of aneurysms. Technological advances continue to make it possible for a growing number of patients with cerebral aneurysms to be treated with a variety of endovascular strategies, essentially using detachable platinum coils. Yet, coil embolization remains a very complex medical procedure for which careful planning must be combined with advanced technical skills in order to be successful. In this paper, we describe a complete process for patient-specific simulations of coil embolization, from mesh generation with medical datasets to computation of coil-flow bilateral influence. We propose a new method for simulating the complex blood flow patterns that take place within the aneurysm, and for simulating the interaction of coils with this flow. This interaction is twofold, first involving the impact of the flow on the coil during the initial stages of its deployment, and second concerning the decrease of blood velocity within the aneurysm, as a consequence of coil packing. We also propose an approach to achieve real-time computation of coil-flow bilateral influence, necessary for interactive simulation. This in turns allows to dynamically plan coil embolization for two key steps of the procedure: choice and placement of the first coils, and assessment of the number of coils necessary to reduce aneurysmal blood velocity and wall pressure. Finally, we provide the blood flow simulation results on several aneurysms with interesting clinical characteristics both in 2D and 3D, as well as comparisons with a commercial package for validation. The coil embolization procedure is simulated within an aneurysm, and pre- and post-operative status is reported.