Limitations of the Clausius‐Mossotti function used in dielectrophoresis and electrical impedance studies of biomacromolecules

Dielectrophoresis (DEP) studies have progressed from the microscopic scale of cells and bacteria, through the mesoscale of virions to the molecular scale of DNA and proteins. The Clausius‐Mossotti function, based on macroscopic electrostatics, is invariably employed in the analyses of all these studies. The limitations of this practice are explored, with the conclusion that it should be abandoned for the DEP study of proteins and modified for native DNA. For macromolecular samples in general, a DEP theory that incorporates molecular‐scale interactions and the influence of permanent dipoles is more appropriate. Experimental ways to test these conclusions are proposed.     

Banach空间中优化问题的最优性条件

首先在Contingent切锥意义下界定了Banach空间中非空集合的伪切锥和伪凸性的概念，并讨论了相应的性质，然后针对可微优化问题，在广义凸性假设下，建立了最优性条件。     

The Best Lower Bound for the Permanent of a Correlation Matrix of Rank Two

If 1≤k≤n, then Cor(n,k) denotes the set of all n×n real correlation matrices of rank not exceeding k. Grone and Pierce have shown that if A∈Cor (n, n-1), then per(A)≥n/(n-1). We show that if A∈Cor(n,2), then , and that this inequality is the best possible.     

Conceptions of function translation: obstacles, intuitions, and rerouting

A horizontal translation of a function is the focus of this study. We examine the explanations provided by secondary school students and secondary school teachers to a translation of a function, focusing on the example of the parabola y=(x−3)² and its relationship to y=x². The participants’ explanations focused on attending to patterns, locating the zero of the function, and the point-wise calculation of function values. The results confirm that the horizontal shift of the parabola is, at least initially, inconsistent with expectations and counterintuitive to most participants. We articulate possible sources of this perceived inconsistency and describe a pedagogical approach aimed at resolving it.     

PuN基态分子势能函数与热力学函数的理论计算

在Pu的相对论有效原子实势近似和N原子 6 - 311G 全电子基函数下 ,用密度泛函B3LYP方法计算得到PuN分子基态X6Σ+ 的结构与势能函数、力常数与光谱数据 .同时计算得到PuN(g)分子在 2 98K时的标准生成热力学函数ΔfH0 、ΔS0 和ΔfG0 ,分别为 - 4 87.2 39kJ/mol、95 .345J/molK和 - 5 15 .6 6 6 1kJ/mol.     

Constraint incorporation in optimization

Numerical methods for solving constrained optimization problems need to incorporate the constraints in a manner that satisfies essentially competing interests; the incorporation needs to be simple enough that the solution method is tractable, yet complex enough to ensure the validity of the ultimate solution. We introduce a framework for constraint incorporation that identifies a minimal acceptable level of complexity and defines two basic types of constraint incorporation which (with combinations) cover nearly all popular numerical methods for constrained optimization, including trust region methods, penalty methods, barrier methods, penalty-multiplier methods, and sequential quadratic programming methods. The broad application of our framework relies on addition and chain rules for constraint incorporation which we develop here.     

Numerical solution of differential equations using Sinc method based on the interpolation of the highest derivatives

In general, we will use the numerical differentiation when dealing with the differential equations. Thus the differential equations can be transformed into algebraic equations and then we can get the numerical solutions. But as we all have known, the numerical differentiation process is very sensitive to even a small level of errors. In contrast it is expected that on average the numerical integration process is much less sensitive to errors. In this paper, based on the Sinc method we provide a new method using Sinc method incorporated with the double exponential transformation based on the interpolation of the highest derivatives (SIHD) for the differential equations. The error in the approximation of the solution is shown to converge at an exponential rate. The numerical results show that compared with the exiting results, our method is of high accuracy, of good convergence with little computational efforts. It is easy to treat nonhomogeneous mixed boundary condition for our method, which is unlike the traditional Sinc method.     

一种改进的Fuzzy-HMMS算法及其收敛性

对D at T ran和M ichae lW agner等人提出的FCM-FE-HMM S算法作了进一步的补充和改进,提出了改进的FCM-FE-HMM S算法,并给出了算法收敛性分析,得出在给定初值的情况下该算法将收敛到一个局部最优解。     

The Cross-Entropy Method for Continuous Multi-Extremal Optimization

In recent years, the cross-entropy method has been successfully applied to a wide range of discrete optimization tasks. In this paper we consider the cross-entropy method in the context of continuous optimization. We demonstrate the effectiveness of the cross-entropy method for solving difficult continuous multi-extremal optimization problems, including those with non-linear constraints.      

泛函梯度数值计算的一种新方法—正交试验法

本文研究并揭示了L_(2~a)(2~(2~a-1))型正交表行(列)间的递推规律,提出了一种泛函梯度数值计算的新方法——正交试验法,该方法在计算速度和精度上优于直接梯度法;在通用性及节省内存方面优于伴随算子法。