伸缩张量率的抽象表示

本文用“主轴内蕴法”给出右-左伸缩张量 U 和 V 的时间导数 U 和 V 的抽象表示。文中引进所谓“分离技巧”,使能有效地应用张量函数的标准表示。V 的表达式是新的。还给出U 和 V 的两个新关系式。     

Expression and Characterization of an Active Chimeric Protein of Human Extracellular Superoxide Dismutase and hCuZnSOD in Pichiapastoris

Mammalian cells express two isoforms of Cu-and Zn-containing superoxide dismutases(SODs),CuZnSOD and extracellular SOD(EC-SOD),involved in the defense system against reactive oxygen species(ROS).The two SODs have structurally homologous centre domain with distinct N-and C-terminuses,resulting in the different characteristics of the structure and function of the two molecules.We generated a hybrid SOD molecule(namely hySOD) via replacing the N-and C-terminuses of hCuZnSOD with the counterparts of hEC-SOD.The...     

Bäcklund transformations and abundant exact explicit solutions of the Sharma-Tasso-Olver equation

By using an extension of the homogeneous balance method and Maple, the Bäcklund transformations for the Sharma-Tasso-Olver equation are derived. The connections between the Sharma-Tasso-Olver equation and some linear partial differential equations are found. With the aid of the transformations given here and the computer program Maple 12, abundant exact explicit special solutions to the Sharma-Tasso-Olver equation are constructed. In addition to all known solutions re-deriving in a systematic way, several entirely new and more general exact explicit solitary wave solutions can also be obtained. These solutions include (a) the algebraic solitary wave solution of rational function, (b) single-soliton solutions, (c) double-soliton solutions, (d) N-soliton solutions, (e) singular traveling solutions, (f) the periodic wave solutions of trigonometric function type, and (g) many non-traveling solutions. By using the Airy’s function and the Bäcklund transformations obtained here, the exact explicit solution of the initial value problem for the STO equation is presented. The variety of the structure of the solutions for the Sharma-Tasso-Olver equation is illustrated.     

Quality of random number generators significantly affects results of Monte Carlo simulations for organic and biological systems

We have simulated pure liquid butane, methanol, and hydrated alanine polypeptide with the Monte Carlo technique using three kinds of random number generators (RNG's)—the standard Linear Congruential Generator (LCG), a modification of the LCG with additional randomization used in the BOSS software, and the “Mersenne Twister” generator by Matsumoto and Nishimura. While using the latter two RNG's leads to reasonably similar physical features, the LCG produces significant different results. For the pure fluids, a noticeable expansion occurs. Using the original LCG on butane yields, a molecular volume of 171.4 ų per molecule compared to about 163.6–163.9 ų for the other two generators, a deviation of about 5%. For methanol, the LCG produces an average volume of 86.3 ų per molecule, which is about 24% higher than the 68.8–70.2 ų obtained with the RNG's in BOSS and the generator by Matsumoto and Nishimura. In case of the hydrated tridecaalanine peptide, the volume and energy tend to be noticeably greater with the LCG than with the BOSS (modified LCG) RNG's. For the simulated hydrated extended conformation of tridecaalanine, the difference in volume reached about 87%. The uniformity and periodicity of the generators do not seem to play the crucial role in these phenomena. We conclude that, it is important to test a RNG's by modeling a system such as the pure liquid methanol with a well‐established force field before routinely employing it in Monte Carlo simulations. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2011     

Explicit characteristic‐based finite volume element method for level set equation

Accurate modeling of interfacial flows requires a realistic representation of interface topology. To reduce the computational effort from the complexity of the interface topological changes, the level set method is widely used for solving two‐phase flow problems. This paper presents an explicit characteristic‐based finite volume element method for solving the two‐dimensional level set equation. The method is applicable for the case of non‐divergence‐free velocity field. Accuracy and performance of the proposed method are evaluated via test cases with prescribed velocity fields on structured grids. By given a velocity field, the motion of interface in the normal direction and the mean curvature, examples are presented to demonstrate the performance of the proposed method for calculating interface evolutions in time. Copyright © 2010 John Wiley & Sons, Ltd.     

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.     

Provably stable and time‐accurate extensions of Runge–Kutta schemes for CFD computations on moving grids

Extending fixed‐grid time integration schemes for unsteady CFD applications to moving grids, while formally preserving their numerical stability and time accuracy properties, is a nontrivial task. A general computational framework for constructing stability‐preserving ALE extensions of Eulerian multistep time integration schemes can be found in the literature. A complementary framework for designing accuracy‐preserving ALE extensions of such schemes is also available. However, the application of neither of these two computational frameworks to a multistage method such as a Runge–Kutta (RK) scheme is straightforward. Yet, the RK methods are an important family of explicit and implicit schemes for the approximation of solutions of ordinary differential equations in general and a popular one in CFD applications. This paper presents a methodology for filling this gap. It also applies it to the design of ALE extensions of fixed‐grid explicit and implicit second‐order time‐accurate RK (RK2) methods. To this end, it presents the discrete geometric conservation law associated with ALE RK2 schemes and a method for enforcing it. It also proves, in the context of the nonlinear scalar conservation law, that satisfying this discrete geometric conservation law is a necessary and sufficient condition for a proposed ALE extension of an RK2 scheme to preserve on moving grids the nonlinear stability properties of its fixed‐grid counterpart. All theoretical findings reported in this paper are illustrated with the ALE solution of inviscid and viscous unsteady, nonlinear flow problems associated with vibrations of the AGARD Wing 445.6. Copyright © 2011 John Wiley & Sons, Ltd.     

有限长密绕圆柱形螺线管自感系数的精确表达式

对于有限长密绕圆柱形螺线管,首先用贝塞尔函数展开法推导出自感系数的积分形式的表达式,然后用直接积分的方法得出两个级数形式的自感系数表达式,最后对这两个表达式作了简要的分析与比较.     

A Generator and an Optimized Generator of High-Order Hybrid Explicit Methods for the Numerical Solution of the Schrödinger Equation. Part 2. Development of the Generator, Optimization of the Generator and Numerical Results

The generator of tenth-order hybrid explicit methods, the basic method of which has been developed in part 1, is constructed and also optimized, by maximization of the intervals of periodicity. The efficiency of the new methods is shown by their application to the coupled differential equations of the Schrödinger type.