Suppression of superconductivity in high-T c cuprates due to nonmagnetic impurities: Implications for the order parameter symmetry

We show explicitly that the broad histogram single-spin-flip random walk dynamics does not give correct microcanonical average even in one dimension. The dynamics violates the detailed balance condition by an amount proportional to the inverse system size. As a result, in distribution different configurations with the same energy can have different probabilities. We propose a modified dynamics which ensures detailed balance and the histogram obtained from this dynamics is exactly flat. The broad histogram equation relating the average number of potential moves to density of states is generally valid. Received 2 October 1998 and Received in final form 13 October 1998     

Model of population evolution with and without eugenics

We propose, and solve via Monte-Carlo simulation, a model describing evolution of population subject to harmful mutations. The habitat changes periodically. The evolution of two, initially identical, populations is compared. One without any external ingerence and the second in which we eliminate all individuals which are ill-fitted to the changed environment (eugenics). We show that although in the short run the individuals in the latter are better adapted and live longer, after some more changes of the environment, the populations with eugenics become extinct, while the others live on. Received 8 April 1999     

一个求总极值的实现算法及其收敛性

1978年,郑权等首先提出了一种用积分─水平集求总极值的方法及用Monte－Carlo随机投点实现的实现其法,其实现算法是否收敛未解决的问题．本文提出一种用数论方法实现的实现算法,并证明了该实现其法是收敛的．初步的数值结果表明,该实现其法是较有效的．     

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.     

Neumann随机有限元的一种推广形式

针对Monte—Carlo随机有限元,研究在多样本环境下如何提高单样本计算效率的问题。证明了关于线性问题Neumann随机有限元法的算法与线性系统的等刚度迭代法是一致的;在此基础上,将迭代效率更高的算法一预处理共轭梯度法引入线性Monte—Carlo随机有限元系统,建立了相应的有限元列式;最后,利用两个算例比较了本方法与Neumann随机有限元法,结果显示随着随机变量离散度的增大,Neumann法的计算效率急剧下降,而本方法的计算效率表现稳定;对于离散度不太大的随机变量,Neumann法已经不收敛,而本方法在随机变量离散度很大的情况下,仍然保持很好的收敛性。     

二维伊辛模型相变临界点温度的模拟计算

用计算模拟方法计算了二维伊辛模型的相变临界点温度,其结果接近严格解,明显布喇格－威廉斯近似和贝特近似的结果。     

闪光照相系统的散射分布与降散射的数值模拟

 对法国试验客体（FTO）的3 m照相系统建模,利用Monte-Carlo方法模拟X光子输运过程,得到了系统的散射分布和系统器件对散射的贡献。结果表明：后保护锥是系统散射的主要来源,对于任意一点,后保护锥的散射占总散射的75%以上。FTO的散射主要是FTO外层材料和边缘的散射,这部分散射占客体总散射的90%以上。利用坡度准直器对系统散射严重的区域进行的降散射,表明坡度准直器是一个很好的降散射器件,能有效提高图像质量。     

基于蒙特卡罗随机有限元方法的随机多孔介质内流体自然对流不确定性研究

为分析孔隙率不确定性对多孔介质方腔内自然对流换热的影响,发展了一种基于KL（Karhunen-Loeve展开）-蒙特卡罗随机有限元算法的随机多孔介质内自然对流不确定性分析数理模型及有限元数值模拟程序框架。通过K-L展开及基于拉丁抽样法生成多孔介质孔隙率随机实现,并耦合多孔介质自然对流有限元程序,进行随机多孔介质内自然对流传热数值模拟,得出了多孔介质内流场与温度场平均值与标准偏差,并分析了孔隙率不确定性条件下Da数对Nu数的影响。结果表明,孔隙率不确定性对多孔介质方腔内自然对流有重要影响。随机多孔介质内流场及温度场与确定性条件下的流场及温度场存在一定偏差,Nu数标准偏差随着Da的增大先增大后减小。     

不同晶格基底上薄膜生长的Monte Carlo模拟研究

利用Monte Carlo(MC)方法模拟研究了四方和六方晶格基底上薄膜生长的初始阶段岛的形貌和岛的尺寸与基底温度和入射粒子剩余能量之间的关系.模型中考虑了粒子的沉积、吸附粒子的扩散和蒸发等过程.结果表明,基底晶格结构对薄膜生长具有明显影响.当基底温度为300K、入射粒子剩余能量为0时,四方晶格基底上薄膜的生长已经呈现明显的凝聚生长,随着基底温度或入射粒子剩余能量的增加,岛的数目变少、岛的平均尺寸变大.对于六方晶格基底,当入射粒子剩余能量为0、温度从300 K升高到350 K时,岛的形貌从分散生长向分形生长转变;当基底温度为300 K、入射粒子剩余射能量从0上升到0.05 eV时,岛由分散生长向分形生长转变.