A multicolour SOR method for the finite-element method

In this paper we present several algorithms to reorder unknowns in a finite-element mesh so that we can use the multicolour SOR method to solve the corresponding linear system on a pipelined computer or on a parallel computer. We also discuss the assembling process by reordering elements with our algorithms. Numerical tests on a pipelined computer indicate the efficiency of the multicolour SOR method.     

BILED／BILD组合回路的光学逻辑运算

利用激光二极管或发光二极管混合双稳态回路(BILD/BILED)的组合,得到了光学多稳态,光学异或逻辑门和光学R-S触发器.这种光电子学的逻辑回路与大规模集成技术完全相容,因此有希望应用于光学信息处理,光通信和光计算.     

A variable-penalty alternating directions method for convex optimization

We study a generalized version of the method of alternating directions as applied to the minimization of the sum of two convex functions subject to linear constraints. The method consists of solving consecutively in each iteration two optimization problems which contain in the objective function both Lagrangian and proximal terms. The minimizers determine the new proximal terms and a simple update of the Lagrangian terms follows. We prove a convergence theorem which extends existing results by relaxing the assumption of uniqueness of minimizers. Another novelty is that we allow penalty matrices, and these may vary per iteration. This can be beneficial in applications, since it allows additional tuning of the method to the problem and can lead to faster convergence relative to fixed penalties. As an application, we derive a decomposition scheme for block angular optimization and present computational results on a class of dual block angular problems. This material is based on research supported by the Air Force Office of Scientific Research Grant AFOSR-89-0410 and by NSF Grants CCR-8907671, CDA-9024618 and CCR-9306807.     

High throughput N-modular redundancy for error correction design of memristive stateful logic

Memristive stateful logic is one of the most promising candidates to implement an in-memory computing system that computes within the storage unit. It can eliminate the costs for the data movement in the traditional von Neumann system. However, the instability in the memristors is inevitable due to the limitation of the current fabrication technology, which incurs a great challenge for the reliability of the memristive stateful logic. In this paper, the implication of device instability on the reliability of the logic event is simulated. The mathematical relationship between logic reliability and redundancy has been deduced. By combining the mathematical relationship with the vector-matrix multiplication in a memristive crossbar array, the logic error correction scheme with high throughput has been proposed. Moreover, a universal design paradigm has been put forward for complex logic. And the circuit schematic and the flow of the scheme have been raised. Finally, a 1-bit full adder (FA) based on the NOR logic and NOT logic is simulated and the mathematical evaluation is performed. It demonstrates the scheme can improve the reliability of the logic significantly. And compared with other four error corrections, the scheme which can be suitable for all kinds of R-R logics and V-R logics has the best universality and throughput. Compared with the other two approaches which also need additional complementary metal-oxide semiconductor (CMOS) circuits, it needs fewer transistors and cycles for the error correction.     

建筑风压数值模拟的几种并行化策略

针对四个处理机的Ｔｒａｎｓｐｕｔｅｒ并行计算机系统，建立了建筑风压数值模拟问题基于ＳＩＭ－ＰＬＥＣ算法的几种并行化策略：分区并行策略、方程并行策略和双重并行策略。对各种策略的计算流程、数据通讯及并行效率等进行了分析和比较，并通过实例计算作了验证。     

防护林带：湍流的数学模型与计算机模拟

虽然防护林用于减小风速、控制热量和水汽传递及污染物扩散、 改善气候与环境、增加作物产量等已经有几百年了, 但直到近几十年, 人们才开始系统地研究防护林空气动力学的遮蔽机制.在本综述中,我 们考察了绕防护林带的流动与湍流控制机制,最新的模型与数值模拟 研究情况;通过数值模拟与实验数据的比较,来了解防护林带结构与防 风效果之间的关系;讨论数值分析如何及为什么能够得到所需要的结果. 本文将从多孔隙防护林带流动基本方程组的推导开始,讨论数值模型及 模拟过程,对附体与分离流动进行预测;分析了遮蔽机制与动量交换;对 风向、防护林密度、宽度和三维性对流动与湍流的影响作了系统的论 述.还对热流和土壤水分蒸发的新模型及数值模拟作了简述.最后,我们 对网络工作站、群和高性能分布式并行计算机及其对防护林带模型预 报能力的提高作了讨论.     

Prediction and simulation of wear response of Linz–Donawitz (LD) slag filled glass–epoxy composites using neural computation

This article reports on the implementation of a soft computing technique based on artificial neural networks (ANNs) in analyzing the wear performance of a new class of hybrid composites filled with Linz–Donawitz slag (LDS). LDS is a major solid waste generated in huge quantities during steel making. It comes from slag formers such as burned lime/dolomite and from oxidizing of silica, iron etc. while refining the iron into steel in the LD furnace. In this work, hybrid composites consisting of short glass fiber (SGF) reinforced epoxy filled with different LDS content (0, 7.5, 15 and 22.5 wt%) are prepared by simple hand lay‐up technique. Solid particle erosion trials, as per ASTM G 76 test standards, are conducted on the composite samples following a well‐planned experimental schedule based on Taguchi design of experiments. Significant process parameters predominantly influencing the rate of erosion are identified. The study reveals that the LDS content is the most significant among various factors influencing the wear rate of these composites. Further, a model based on ANN for the prediction of erosion performance of these composites is implemented. The ANN prediction profiles for the characteristic wear properties exhibit very good agreement with the measured results demonstrating that a well‐trained network has been created. The simulated results explaining the effect of significant process variables on the wear rate indicate that the trained neural network possesses enough generalization capability of predicting wear rate even beyond the experimental range. Copyright © 2014 John Wiley & Sons, Ltd.     

Enhanced conformational sampling method for proteins based on the TaBoo SeArch algorithm: Application to the folding of a mini‐protein,chignolin

The conformational samplings are indispensible for obtaining reliable canonical ensembles, which provide statistical averages of physical quantities such as free energies. However, the samplings of vast conformational space of biomacromolecules by conventional molecular dynamics (MD) simulations might be insufficient, due to their inadequate accessible time‐scales for investigating biological functions. Therefore, the development of methodologies for enhancing the conformational sampling of biomacromolecules still remains as a challenging issue in computational biology. To tackle this problem, we newly propose an efficient conformational search method, which is referred as TaBoo SeArch (TBSA) algorithm. In TBSA, an inverse energy histogram is used to select seeds for the conformational resampling so that states with high frequencies are inhibited, while states with low frequencies are efficiently sampled to explore the unvisited conformational space. As a demonstration, TBSA was applied to the folding of a mini‐protein, chignolin, and automatically sampled the native structure (C_α root mean square deviation < 1.0 Å) with nanosecond order computational costs started from a completely extended structure, although a long‐time 1‐µs normal MD simulation failed to sample the native structure. Furthermore, a multiscale free energy landscape method based on the conformational sampling of TBSA were quantitatively evaluated through free energy calculations with both implicit and explicit solvent models, which enable us to find several metastable states on the folding landscape. © 2015 Wiley Periodicals, Inc.     

大学化学云计算学习环境与协作学习模型的构建

"云计算"在教育教学中的应用构建了"云计算"辅助教学的概念。21世纪的教学方式是以学为主、以教为辅,学习的方式也从个人学习变成了协作学习,这正是"云计算"辅助教学的核心。本文回顾了计算机辅助教学的发展,对"云计算"学习环境与协作学习模型的构建进行了分析探讨,并以"大学化学云学堂"为案例解析了"云计算"学习环境与协作学习模型建立的实际应用,阐述了其设计思路和实现方法,以期为"云计算"辅助学习与教学研究提供一些帮助。     

A multigrid perspective on the parallel full approximation scheme in space and time

For the numerical solution of time‐dependent partial differential equations, time‐parallel methods have recently been shown to provide a promising way to extend prevailing strong‐scaling limits of numerical codes. One of the most complex methods in this field is the “Parallel Full Approximation Scheme in Space and Time” (PFASST). PFASST already shows promising results for many use cases and benchmarks. However, a solid and reliable mathematical foundation is still missing. We show that, under certain assumptions, the PFASST algorithm can be conveniently and rigorously described as a multigrid‐in‐time method. Following this equivalence, first steps towards a comprehensive analysis of PFASST using blockwise local Fourier analysis are taken. The theoretical results are applied to examples of diffusive and advective type.