Efficiency of the Incomplete Enumeration Algorithm for Monte-Carlo Simulation of Linear and Branched Polymers

We study the efficiency of the incomplete enumeration algorithm for linear and branched polymers. There is a qualitative difference in the efficiency in these two cases. The average time to generate an independent sample of configuration of polymer with n monomers varies as n ² for linear polymers for large n, but as exp(cn ^α) for branched (undirected and directed) polymers, where 0<α<1. On the binary tree, our numerical studies for n of order 10⁴ gives α = 0.333±0.005. We argue that α =1/3 exactly in this case. An erratum to this article can be found at .     

RELIABILITY ASSESSMENT OF STRUCTURAL SYSTEMS BASED ON DIRECTIONAL VECTOR SIMULATION TECHNIQUE

The new improved directional vector simulation method for analyzing the reliability of structural systems failure probability is researched. This paper also points out the defects of general directional vector simulation, and gives rise to a new higher accuracy approximate integral formula of structural systems failure probability. A new geometric meaning of characteristic function is obtained. A new simple method of generating uniformly distributed random vector samples inn-dimensional unit hyper-spherical surface is put forward and strictly proved. This method is easy to put into practice. Numerical examples are given to show the applicability and effectiveness of the suggested approach to structural systems reliability problems. Supported by Chinese Postdoctor Fund([1998]6, 23).     

Gibbs Ensemble Monte-Carlo方法及其应用

介绍一种新的且非常实用的Ｇｉｂｂｓ Ｅｎｓｅｍｂｌｅ Ｍｏｎｔｅ－Ｃａｒｌｏ模拟技术。并给出模拟甲烷和氟甲烷混合物的液体－液体相图以及Ｌｅｎｎａｒｄ－Ｊｏｎｅｓ混合物相图。将模拟的相图与实验得出的相图进行了对比。     

Adaptive extremal optimization by detrended fluctuation analysis

Global optimization is one of the key challenges in computational physics as several problems, e.g. protein structure prediction, the low-energy landscape of atomic clusters, detection of community structures in networks, or model-parameter fitting can be formulated as global optimization problems. Extremal optimization (EO) has become in recent years one particular, successful approach to the global optimization problem. As with almost all other global optimization approaches, EO is driven by an internal dynamics that depends crucially on one or more parameters. Recently, the existence of an optimal scheme for this internal parameter of EO was proven, so as to maximize the performance of the algorithm. However, this proof was not constructive, that is, one cannot use it to deduce the optimal parameter itself a priori. In this study we analyze the dynamics of EO for a test problem (spin glasses). Based on the results we propose an online measure of the performance of EO and a way to use this insight to reformulate the EO algorithm in order to construct optimal values of the internal parameter online without any input by the user. This approach will ultimately allow us to make EO parameter free and thus its application in general global optimization problems much more efficient.     

Scattering spectra and colour of disperse systems of low-absorptive particles

In this article, the results of calculations of scattering spectra of low-absorptive spherical particles are presented. It was obtained using different approximate and numerical methods. The comparative evaluations of application of single scattering approximation, the average field approximation and of the methods of computer modeling on the basis of Monte-Carlo method on various scattering multiplicity were performed. The comparison demonstrates the good agreement of calculated results with experimental scattering spectra of eye lens. By using the obtained spectral data the colour coordinates are calculated. The regularities of changes in colour characteristics in dependence of disperse system parameters are analyzed.     

A non-primitive model for the electrode electrolyte interface based on the Percus–Yevick theory. Analysis of the different molecular sizes, ion valences and electrolyte concentrations

The electrode electrolyte interface is modelled by a mixture of charged and dipolar hard spheres against a planar, charged hard wall. A mean field theory is used to describe the coulombic interactions while steric effects are given by the Percus–Yevick theory. The underlying Percus–Yevick theory for three uncharged species against a planar wall is derived by using the standard method developed by Henderson et al. (D. Henderson, F.F. Abraham, J.A. Barker, Mol. Phys., 31 (1976) 1291) and compared with Monte-Carlo simulations. Although the Percus–Yevick theory has shortcomings, the theory provides an estimate of how the high density of the solvent influences the structural and thermodynamic properties. Consideration of the solvent molecules introduces oscillations in the density distribution of the ions and solvent while the different molecular sizes and ion valences lead to an asymmetry in the differential capacitance.     

细水雾遮蔽红外辐射的蒙特卡洛模拟及透射场分析

基于蒙特卡洛法,对水雾遮蔽热辐射衰减建立了光子状态序列的追踪模型.利用该模型对水雾粒子的多重散射进行模拟,分析了影响水雾消光性能的消光系数、水雾浓度、不对称因子等参数,发现不对称因子也是影响水雾隐身性能的重要参数.研究表明:对于消光系数相同的介质,不对称因子越小越有利于衰减目标热辐射强度,而采用朗伯比尔定律则不能获得此结论;在雾粒子半径远大于红外波长的情况下,提高水雾的浓度并减小粒子半径可有效提高水雾的衰减作用.     

非视线紫外光大气传输模型的建立及验证

基于蒙特卡罗方法建立了非视线紫外光传输模型。利用此模型模拟了不同传输距离、不同发射和接收仰角等多种传输条件下的传输情况,并在同等条件下进行了相关实验。结果表明,在相同条件下,信号强度模拟曲线与实验曲线的变化趋势相同且吻合较好,但具有一定的误差。进一步分析指出,模型中大气散射系数、吸收系数、分子散射比、传输测试距离等参数的误差影响了模拟结果的准确,以及模拟与实验曲线的吻合程度。     

Influence of the Coulomb forces on the thermodynamic and transport properties of non stoichiometric cerium dioxide

Abstract

In this study, it is demonstrated that the Coulomb interactions explains the essential of experimental thermodynamic and transport thermodynamic results.     

Temporal reflectance from a light pulse irradiated medium embedded with highly scattering cores

This paper presents a new approach to utilize ultrashort pulsed laser for optical diagnostics with numerical simulations. The method is based on the use of ultrafast pulses with a pulsewidth selected according to the probed medium's radiative property and/or size. Our previous work in nonhomogeneous media has shown that the resulting time-resolved reflectance signal will have a unique characteristic: it will show a direct correlation of ballistic photon travel time and interface location, which is in between different layers or nonhomogeneous regions. The premise is based on utilizing the medium's structural information carried by the ballistic and snake photons without being masked by the diffuse photons. In this study, the space-time correlation is further explored in the case of minimally scattered photons from a large scattering coefficient core region embedded within a less-scattering medium. Time-resolved reflectance signals of the single scattering core and multiple scattering cores within a three-dimensional medium demonstrate the concept and illustrate the additional effect due to the scattered photons from the core region. A unique temporal signal profile's correlation at various detector positions with respect to the scattering core is explained in detail. The result has important implications. This approach will lead to a much simpler and more precise determination of the probed medium's composition or structure. Due to the large computational requirement to obtain the physical details of the light pulse propagation inside highly scattering multi-dimensional media, the reverse Monte-Carlo method is used. The potential applications of the method include non-destructive diagnostics, optical imaging, and remote sensing of underwater objects.