球钯材料填充柱中氢-氘交换的计算机模拟

本文结合球体颗粒交换模型(SPEM)与气-固表面交换模型设计了氢-氘交换反应模型, 采用FORTRAN语言进行计算机编程模拟, 研究了钯材料粒径、分离柱长度、填料密度、气体流速和温度等因素对氢氘交换反应的影响。结果表明:通过降低气体流速, 增大金属材料目数、填料密度、交换柱长, 以及升高温度, 可以提高交换速率;而在满足一维速率方程的条件下, 柱径的大小不影响交换反应过程。     

A FORTRAN program for cluster enumeration

A simple FORTRAN program based primarily on the algorithm of Martin is presented for enumerating isolated connected clusters of up to a given specified number of particles on the square lattice. A brief explanation of the workings of the program is also provided to facilitate its use by those interested in this problem. To order 15, the program enumerates clusters at an average rate of approximately 63,000/sec when implemented on an IBM 370/168 with the extended optimizing compiler.Supported in part by grants from the ARO, NSF, and ONR.     

一种基于三角形非结构化网格SIMPLE算法的程序设计

为了深入研究解决流动问题的基本算法,提出了一种三角形非结构化网格上SIMPLE算法的计算机程序设计。利用FORTRAN语言的特点,采用自定义变量存储控制单元以及界面信息。单元变量中定义了指向相邻单元和界面的指针,通过对网格文件所提供拓扑信息的读取对这些指针进行赋值,从而建立计算所需的基本数据结构。这样,就避免了采用数组直接存储网格拓扑信息,大大增加了程序的可读性、拓展性和二次开发潜力。通过顶盖驱动流、后台阶流以及圆柱绕流几个经典计算流体力学算例的验证,该程序计算收敛良好,精度较高,所得结果符合物理实际。因而,可在此基础上开发更具实际应用价值的三维程序。     

Towards a portable environment for FORTRAN applications on parallel computers

Summary This paper extends the communicating sequential process model of communications on multicomputers to a virtual machine interface with skeleton algorithms for global communication of data. The software is constructed using elements of object-oriented programming. Data is divided into two types of variables: those stored locally to each process and those accessible globally. Transfer of data between processes is implicit in the library structure, providing opportunities for optimisation.The application-level interface currently resembles a vector linear algebra library. Generic communication skeletons are defined for building libraries specific to applications; they illustrate more general programming issues. An example from a wave-scattering algorithm is given.     

球钯材料填充柱中氢-氘交换的计算机模拟

本文结合球体颗粒交换模型(SPEM)与气-固表面交换模型设计了氢-氘交换反应模型,采用FORTRAN语言进行计算机编程模拟,研究了钯材料粒径、分离柱长度、填料密度、气体流速和温度等因素对氢氘交换反应的影响。结果表明:通过降低气体流速,增大金属材料目数、填料密度、交换柱长,以及升高温度,可以提高交换速率;而在满足一维速率方程的条件下,柱径的大小不影响交换反应过程。     

A transfer matrix program to calculate the conductivity of random resistor networks

We describe technical details on a new method of calculating the conductivity of random resistor networks which uses transfer matrix ideas. We give a program which calculates the conductivity of three-dimensional bars, and we provide a few comments on the advantages of this method and its performances.     

Are random walks random?

Random walks have been created using the pseudo-random generators in different computer language compilers (BASIC, PASCAL, FORTRAN, C++) using a Pentium processor. All the obtained paths have apparently a random behavior for short walks (2¹⁴ steps). From long random walks (2³³ steps) different periods have been found, the shortest being 2¹⁸ for PASCAL and the longest 2³¹ for FORTRAN and C++, while BASIC had a 2²⁴ steps period. The BASIC, PASCAL and FORTRAN long walks had even (2 or 4) symmetries. The C++ walk systematically roams away from the origin. Using deviations from the mean-distance rule for random walks, d² ∝ N, a more severe criterion is found, e.g. random walks generated by a PASCAL compiler fulfills this criterion to N < 10 000.     

A fortran computer program for use in studies concerned with the standardisation of test conditions for high-performance liquid chromatography columns

Summary The scientific assessment of the performance of columns used in HPLC involves the calculation of a number of theoretical parameters from the experimental measurements. In this paper we present in full a FORTRAN program for performing these calculations, when these are based on the theory of Bristow and Knox.Publication No. 27 from the Biological Materials Analysis Unit     

ODE-IVP-PACK via Sinc indefinite integration and Newton's method

This paper describes a package of computer programs for the unified treatment of initial-value problems for systems of ordinary differential equations. The programs implement a numerical method which is efficient for a general class of differential equations. The user may determine the solutions over finite or infinite intervals. The solutions may have singularities at the end-points of the interval for which the solution is sought. Besides giving the initial values and the analytical expression for the differential equations to be solved the user needs to specify the nature of the singularities and give some other analytical information as described in the paper in order to take advantage of the speed and accuracy of the package described here. This revised version was published online in June 2006 with corrections to the Cover Date.