耦合溶质运移和化学反应模拟的并行优化

针对TOUGHREACT程序在耦合溶质运移和化学反应计算过程中, 计算规模和时间需求的不断增加导致求解规模逐渐增大的问题, 提出了用耦合过程并行化对耦合模拟过程进行改进的方法. 该方法改进了原有的程序结构, 实现了化学反应计算并行化. 实验结果表明, 改进后的耦合计算部分在执行时间上有2~3倍的加速效果.     

基于改进蚁群算法求解连续空间寻优问题

蚁群算法是近几年优化领域中出现的一种启发式仿生类并行智能进化算法,并在离散空间领域中得到广泛应用,但在求解连续空间优化问题方面的研究相对较少。为了克服蚁群算法在连续空间中搜索时间过长等缺点,在原有的连续空间寻优方法的基础上,提出了一种用于求解连续空间寻优问题的改进蚁群算法。针对各子区间内的总信息量及应有的蚁数的求解方式进行改进,引入一个随迭代次数增加而变化的函数,以提高改进后蚁群算法的收敛速度。仿真实验表明,提出的基于信息量分布函数的改进蚁群算法较有关文献的算法有更好的收敛性能,从而为蚁群算法求解这类问题提供了一种可行有效的新方法。     

后验Galerkin方法的实施算法

建立了在近似惯性流形基础上的后验Ｇａｌｅｒｋｉｎ方法,比经典Ｇａｌｅｒｋｉｎ方法逼近阶提高一倍,但需求解一个原有限元子空间的正交补空间上的线性问题,提出了一种实施算法,把问题的求解从正交补空间转化到普通有限元子空间,且公式简单,求解方便易行。依据这一方案研制了计算软件,数值模拟的结果表明,该算法对于提高计算精度是十分有效的。     

四阶抛物方程的一个并行有限差分格式

针对一维四阶抛物方程给出了一类并行差分格式. 利用非对称差分格式, 通过格式组合, 将空间区域分裂成若干子区域, 然后使每个子区域独立求解, 且各子区域上的计算可以并行. 分析表明, 通过格式在不同时间层的交替, 如分组显式(GE)方法、 交替分组显式(AGE)方法、 交替分段显-隐(ASE-I)方法, 后两种方法是绝对稳定的, 而且数值试验表明计算精度较好.     

求解大型稀疏线性方程组的Krylov子空间方法的发展

 求解大型稀疏线性方程组是许多科学和工程计算中最重要的问题之一,Krylov子空间方法是求解这类线性方程组的一个研究热点.本文介绍了Krylov子空间方法及其分类,例如正交投影方法(或Ritz-Galerkin方法),正交化方法(或极小残差方法),双正交化方法(或Petrov-Galerkin方法),解法方程组的CGNE和CGNR方法等,指出了这些方法在算法设计方面国内外研究现状和存在问题,着重考虑稀疏矩阵向量乘积与内积计算方法的并行处理问题;讨论了预条件与并行预条件技术,残差磨光技术及其并行实现,数据的合理分布问题,内积瓶颈问题等方面研究的发展趋势,希望有更多学者了解和研究这些方法.     

求解大型稀疏对称矩阵极端特征值的子空间加速的截断牛顿法

利用扩展子空间的方法,对求解大型稀疏对称矩阵极端特征值的截断牛顿法进行改进,提出了子空间加速的截断牛顿法。理论分析和数值结果均表明,新方法对计算对称矩阵的极端特征值是有效的。     

基于声辐射度的耦合空间声能衰变模拟方法

针对耦合空间中的声能衰变,提出一种改进的声辐射度模拟方法.该方法将耦合开口设为分属于2个子空间的虚拟界面,通过虚拟界面上声辐射度的接收和传播实现子空间声能交换.改进的模拟方法将耦合空间分为2个独立的子空间分别进行声辐射度计算,在有效降低计算量的同时克服了子空间面元有效性判断所产生的误差,提高了模拟的准确性和计算的收敛速度.实测与模拟结果的对比表明,基于声辐射度的改进模拟方法对耦合空间中声能衰变具有较好的预测精度.     

一种异步并行不精确牛顿方法

本文提出求解一致凸函数f(x)极小化的并行不精确牛顿方法,搜索方向由krylov子空间方法计算产生,算法产生的点列{xi}超线性收敛于函数f(x)的整体极小点。     

电特大天线增益的高效求解

为解决电特大天线辐射特性计算效率低的问题,提出并实现了一种基于多极子的聚集思想快速求解远场信息的高效并行算法.根据目标在并行多层快速多极子中几何树的特征,提出高层远场模式直接聚集,并且按行并行插值的混合MPI-OpenMP并行计算方案.将该算法应用于大射电天文望远镜FAST（five-hundred-meter aperture spherical telescope）的远场方向图和增益的计算,通过与等效电流直接积分法计算对比展示其计算精度与效率.结果验证该算法的远场辐射特性计算精度,且同等远场计算任务量下,平均单方向计算效率提高近万倍.      

一种量子化学有限元并行计算方法

利用有限元法计算了量子化学中双原子分子的Hartree-Fock-Slater方程,用八节点等参元来离散所要求解的方程,在计算离散后的广义特征值问题时,采用迁移式子空间迭代法来求解.本方法能以较高的精度和效率求得所需的前q维特征值和特征向量,具有编程容易、子空间维数低和占用内存少的优点.所提方法也适用于并行计算,并行程序是在微机机群系统上发展的,用SPMD(singleprogrammultipledate)模式在MPI(messagepassinginterfaces)并行编程平台上实现,MPI系统用于处理机群节点间的通信.给出计算两个双原子分子——BH分子和LiH分子基态总能量的数值算例,获得了较精确的计算结果,显示了本方法的优越性.     

Characterization of Ordovician carbonate reservoirs, southeastern Saskatchewan, Canada

The discovery of the prolific Ordovician Red River reservoirs in 1995 in southeastern Saskatchewan was the catalyst for extensive exploration activity which resulted in the discovery of more than 15 new Red River pools. The best yields of Red River production to date have been from dolomite reservoirs. Understanding the processes of dolomitization is, therefore, crucial for the prediction of the connectivity, spatial distribution and heterogeneity of dolomite reservoirs.The Red River reservoirs in the Midale area consist of 3～4 thin dolomitized zones, with a total thickness of about 20 m, which occur at the top of the Yeoman Formation. Two types of replacement dolomite were recognized in the Red River reservoir: dolomitized burrow infills and dolomitized host matrix. The spatial distribution of dolomite suggests that burrowing organisms played an important role in facilitating the fluid flow in the backfilled sediments. This resulted in penecontemporaneous dolomitization of burrow infills by normal seawater. The dolomite in the host matrix is interpreted as having occurred at shallow burial by evaporitic seawater during precipitation of Lake Almar anhydrite that immediately overlies the Yeoman Formation. However, the low δ18O values of dolomited burrow infills (-5.9‰～ -7.8‰, PDB) and matrix dolomites (-6.6‰～ -8.1‰, avg. -7.4‰ PDB) compared to the estimated values for the late Ordovician marine dolomite could be attributed to modification and alteration of dolomite at higher temperatures during deeper burial, which could also be responsible for its 87Sr/86Sr ratios (0.7084～0.7088) that are higher than suggested for the late Ordovician seawaters (0.7078～0.7080). The trace amounts of saddle dolomite cement in the Red River carbonates are probably related to "cannibalization" of earlier replacement dolomite during the chemical compaction.     

A computer generator for randomly layered structures

AcomputergeneratorforrandomlylayeredstructuresYUJia shun1,2,HEZhen hua2(1.TheInstituteofGeologicalandNuclearSciences,NewZealand;2.StateKeyLaboratoryofOilandGasReservoirGeologyandExploitation,ChengduUniversityofTechnology,China)Abstract:Analgorithmisintrod…     

海南岛地体及其毗邻陆缘晚中生代—新生代古地磁研究和构造演化

本文叙述了对海南岛及其毗邻大陆边缘白垩纪到第四纪地层岩石进行古地磁研究的全部工作过程。通过分析岩石中剩余磁矢量的磁偏角及磁倾角的变化,提出海南岛白垩纪以来经历的构造演化模式如下:早期伴随顺时针旋转而向南迁移,后期伴随逆时针转动并向北运移。联系该地区及邻区的地质、地球物理资料,对海南岛上述的构造地体运动提出以下认识:北部湾内早期有一拉张作用,主要是该作用使湾内地壳显著伸长减薄,形成北部湾盆地。从而导致了海南岛的早期构造运动,而海南岛后期的构造运动则主要是受南海海底扩张的影响。海南地体运动规律的阐明对于了解北部湾油气盆地的形成演化有重要的理论和实际意义。     

Exciton Seebeck in Molecular Systems

Various applications relevant to the exciton dynamics,such as the organic solar cell,the large-area organic light-emitting diodes and the thermoelectricity,are operating under temperature gradient.The potential abnormal behavior of the exicton dynamics driven by the temperature difference may affect the efficiency and performance of the corresponding devices.In the above situations,the exciton dynamics under temperature difference is mixed with     

Achieving Unusual States of Matter Under High Pressure

The elongation method,originally proposed by Imamura was further developed for many years in our group.As a method towards O(N)with high efficiency and high accuracy for any dimensional systems.This treatment designed for one-dimensional(ID)polymers is now available for three-dimensional(3D)systems,but geometry optimization is now possible only for 1D-systems.As an approach toward post-Hartree-Fock,it was also extended to     

《Chinese Science Bulletin》SUBJECT INDEX TO VOLUME 59(2014)

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An on-line scaling method for improving scalability of a database cluster

The explosive growth of the Internet and database applications has driven database to be more scalable and available, and able to support on-line scaling without interrupting service. To support more client's queries without downtime and degrading the response time, more nodes have to be scaled up while the database is running. This paper presents the overview of scalable and available database that satisfies the above characteristics. And we propose a novel on-line scaling method. Our method improves the existing on-line scaling method for fast response time and higher throughputs. Our proposed method reduces unnecessary network use, i.e. , we decrease the number of data copy by reusing the backup data. Also, our on-line scaling operation can be processed parallel by selecting adequate nodes as new node. Our performance study shows that our method results in significant reduction in data copy time.     

An improved R-tree based on childnode''s probability

R-Tree is a good structure for spatial searching. But in this indexing structure,either the sequence of nodes in the same level or sequence of traveling these nodes when queries are made is random. Since the possibility that the object appears in different MBR which have the same parents node is different, if we make the subnode who has the most possibility be traveled first, the time cost will be decreased in most of the cases. In some case, the possibility of a point belong to a rectangle will shows direct proportion with the size of the rectangle. But this conclusion is based on an assumption that the objects are symmetrically distributing in the area and this assumption is not always coming into existence. Now we found a more direct parameter to scale the possibility and made a little change on the structure of R-tree, to increase the possibility of founding the satisfying answer in the front sub trees. We names this structure probability based arranged R-tree (PBAR-tree).     

An Index mechanism for multi-scale view in spatial databases

There are numerous geometric objects stored in the spatial databases. An importance function in a spatial database is that users can browse the geometric objects as a map efficiently. Thus the spatial database should display the geometric objects users concern about swiftly onto the display window. This process includes two operations:retrieve data from database and then draw them onto screen. Accordingly, to improve the efficiency, we should try to reduce time of both retrieving object and displaying them. The former can be achieved with the aid of spatial index such as R-tree, the latter require to simplify the objects. Simplification means that objects are shown with sufficient but not with unnecessary detail which depend on the scale of browse. So the major problem is how to retrieve data at different detail level efficiently. This paper introduces the implementation of a multi-scale index in the spatial database SISP (Spatial Information Shared Platform) which is generalized from R-tree. The difference between the generalization and the R-tree lies on two facets: One is that every node and geometric object in the generalization is assigned with a importance value which denote the importance of them, and every vertex in the objects are assigned with a importance value,too. The importance value can be use to decide which data should be retrieve from disk in a query. The other difference is that geometric objects in the generalization are divided into one or more sub-blocks, and vertexes are total ordered by their importance value. With the help of the generalized R-tree, one can easily retrieve data at different detail levels.Some experiments are performed on real-life data to evaluate the performance of solutions that separately use normal spatial index and multi-scale spatial index. The results show that the solution using multi-scale index in SISP is satisfying.     

Integrating GIS Web services based on mediating architecture

The geographic information service is enabled by the advancements in general Web service technology and the focused efforts of the OGC in defining XML-based Web GIS service. Based on these models, this paper addresses the issue of services chaining,the process of combining or pipelining results from several interoperable GIS Web Services to create a customized solution. This paper presents a mediated chaining architecture in which a specific service takes responsibility for performing the process that describes a service chain. We designed the Spatial Information Process Language (SIPL) for dynamic modeling and describing the service chain, also a prototype of the Spatial Information Process Execution Engine (SIPEE) is implemented for executing processes written in SIPL. Discussion of measures to improve the functionality and performance of such system will be included.