The locally conservative Galerkin (LCG) method for solving the incompressible Navier–Stokes equations

In this paper, the locally conservative Galerkin (LCG) method (Numer. Heat Transfer B Fundam. 2004; 46 :357–370; Int. J. Numer. Methods Eng. 2007) has been extended to solve the incompressible Navier–Stokes equations. A new correction term is also incorporated to make the formulation to give identical results to that of the continuous Galerkin (CG) method. In addition to ensuring element‐by‐element conservation, the method also allows solution of the governing equations over individual elements, independent of the neighbouring elements. This is achieved within the CG framework by breaking the domain into elemental sub‐domains. Although this allows discontinuous trial function field, we have carried out the formulation using the continuous trial function space as the basis. Thus, the changes in the existing CFD codes are kept to a minimum. The edge fluxes, establishing the continuity between neighbouring elements, are calculated via a post‐processing step during the time‐stepping operation. Therefore, the employed formulation needs to be carried out using either a time‐stepping or an equivalent iterative scheme that allows post‐processing of fluxes. The time‐stepping algorithm employed in this paper is based on the characteristic‐based split (CBS) scheme. Both steady‐ and unsteady‐state examples presented show that the element‐by‐element formulation employed is accurate and robust. Copyright © 2007 John Wiley & Sons, Ltd.     

An efficient correlation for calculating compressibility factor of natural gases

Compressibility factor (z-factor) values of natural gases are necessary in most petroleum engineering calculations. Necessity arises when there are few available experimental data for the required composition, pressure and temperature conditions. One of the most common methods of calculating z-factor values is empirical correlation. Firstly, a new correlation based on the famous Standing-Katz (S-K) Chart is presented to predict z-factor values. The advantage of this correlation is that it is explicit inzand thus does not require an iterative solution as is required by other methods. Secondly, the comparison between new one and other correlations is carried out and the results indicate the superiority of the new correlation over the other correlations used to calculate z-factor.     

Efficient nonbonded interactions for molecular dynamics on a graphics processing unit

We describe an algorithm for computing nonbonded interactions with cutoffs on a graphics processing unit. We have incorporated it into OpenMM, a library for performing molecular simulations on high‐performance computer architectures. We benchmark it on a variety of systems including boxes of water molecules, proteins in explicit solvent, a lipid bilayer, and proteins with implicit solvent. The results demonstrate that its performance scales linearly with the number of atoms over a wide range of system sizes, while being significantly faster than other published algorithms. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010     

Landau-Lifshitz方程派生的球面锥对称族及其演化

直至2008年,尚未见到讨论同时具有外磁场和各向异性场的多维Landau-Lifshitz方程的显式动态解的文献.当缺少外加磁场或各向异性场时,许多作者曾经尝试过Hirota的著名方法,Lie代数结构与Backlund变换,双线性变换等,但精确解仍然没有构造出来.本文首先给出了一种求解具有外磁场和各向异性场的Landa...     

On the stability of two new two-step explicit methods for the numerical integration of second order initial value problem on a variable mesh

We present two novel two-step explicit methods for the numerical solution of the second order initial value problem on a variable mesh. In the case of a constant mesh the method is superstable in the sense of Chawla (1985). Numerical experimentation is provided to verify the stability analysis.     

Mixed eigenvalues of discrete p-Laplacian

This paper deals with the principal eigenvalue of discrete p-Laplacian on the set of nonnegative integers. Alternatively, it is studying the optimal constant of a class of weighted Hardy inequalities. The main goal is the quantitative estimates of the eigenvalue. The paper begins with the case having reflecting boundary at origin and absorbing boundary at infinity. Several variational formulas are presented in different formulation： the difference form, the single summation form, and the double summation form. As their applications, some explicit lower and upper estimates, a criterion for positivity （which was known years ago）, as well as an approximating procedure for the eigenvalue are obtained. Similarly, the dual case having absorbing boundary at origin and reflecting boundary at presented at the end of Section 2 to infinity is also studied. Two examples are illustrate the value of the investigation.     

Implicit–explicit schemes for nonlinear nonlocal equations with a gradient flow structure in one space dimension

Nonlinear convection–diffusion equations with nonlocal flux and possibly degenerate diffusion arise in various contexts including interacting gases, porous media flows, and collective behavior in biology. Their numerical solution by an explicit finite difference method is costly due to the necessity of discretizing a local spatial convolution for each evaluation of the convective numerical flux, and due to the disadvantageous Courant–Friedrichs–Lewy (CFL) condition incurred by the diffusion term. Based on explicit schemes for such models devised in the study of Carrillo et al. a second‐order implicit–explicit Runge–Kutta (IMEX‐RK) method can be formulated. This method avoids the restrictive time step limitation of explicit schemes since the diffusion term is handled implicitly, but entails the necessity to solve nonlinear algebraic systems in every time step. It is proven that this method is well defined. Numerical experiments illustrate that for fine discretizations it is more efficient in terms of reduction of error versus central processing unit time than the original explicit method. One of the test cases is given by a strongly degenerate parabolic, nonlocal equation modeling aggregation in study of Betancourt et al. This model can be transformed to a local partial differential equation that can be solved numerically easily to generate a reference solution for the IMEX‐RK method, but is limited to one space dimension.     

基于松弛策略解半无限规划模型的显式修正算法

讨论了一类线性半无限最优规划模型的求解算法.采用松弛方法解其系列子问题LP(T_k)及DLP(T_k),基于松弛策略和在适当的假设条件下,提出了一个我们称之为显式算法的新型算法.新算法的主要改进之处是算法在每一步迭代计算时,允许丢弃一些不必要的约束.在这种方式下,算法避免了求解系列太大规模的子问题.最后,基于提出的显式修正算法,并与传统割平面方法和已有文献中的松弛修正算法、对同一问题作了初步的数值比较实验.     

非协调四结点平面等参位移元新列式方法

本文导出一种等参协调元位移函数的新的表示方法,在此基础上建立起了构造等参非协调元的新方法。作为实例,构造出两个可以给出单刚显式的四结点平面非协调新单元。