晶柱粘连对CsI:Na转换屏分辨特性的影响

本文用MonteCarlo方法研究了CsI:Na转换屏中晶柱之间的粘连对其空间分辨特性的影响,给出了不同粘连程度下可见光在转换屏中的点扩展函数及相应的MTF曲线.通过几种不同粘连系数下模拟结果的比较可见,要获得一个高分辨的转换屏应尽可能减小晶柱之间的粘连.对于一个实际的转换屏其粘连系数至少应在40%以下,最好控制在20%以内.     

ELECTRON TRANSPORT BEHAVIOURS IN THE NITROGEN DIRECT CURRENT GLOW DISCHARGE

A Monte Carlo simulation is presented to describe the electron transport behaviours in the nitrogen direct current glow discharge. The energy and angular distributions of the electrons at different positions of the cathode dark space are calculated; their energy and density distribution features throughout the entire discharge are discussed. The influence of molecular vibrational excitation, typical for electron－molecule collisions, has been studied and the elementary process of active species generation has been illustrated. The simulated results reveal that, in the cathode dark space, the high-energy electrons are mainly forward scattering and behave as a high-energy ‘electron beam'. The sharp increase of the number of secondary electrons plays an important role in producing active species at the interface between the cathode dark space and the negative glow region. The vibrational excitation enhances the energy loss of electrons in the negative glow region.     

二元合金表面偏析的Monte Carlo方法模拟

详细介绍了二元合金表面偏析的Monte Carlo模拟方法,并应用改进的分析型嵌入原子模型结合Monte Carlo方法模拟研究了Pd-Au合金表面成分及其剖面成分分布,发现Au在表面偏析,并同已有实验结果进行了比较.     

胶粒分形粒子簇反应控制聚集动态行为位垒影响的Monte Carlo模拟

通过对反应控制聚集过程的MonteCarlo模拟,从微观及介观层次上探讨了胶粒间相互作用位能曲线上位垒高度的变化对胶粒分形粒子簇大小分布和动态标度函数及聚集动力学行为的影响规律。     

端点附壁的高分子链形状的Monte Carlo模拟

分别基于简立方格点和四面体格点模型对一端吸附在无限大平面的高分子链（平面接枝高分子链）的形状进行了Ｍｏｎｔｅ Ｃａｒｌｏ模拟,结果表明,接枝高分子链的形状更偏离球形,〈Ｌ＾２１〉：〈Ｌ＾２２〉：〈Ｌ＾２３〉的极限值约为１：２．７５：１２．５,其中〈Ｌ＾２１〉,〈Ｌ＾２２〉和〈Ｌ＾２３〉分别为回转半径张量的本征值Ｌ＾２１,Ｌ＾２２和Ｌ＾２３（Ｌ＾２１〈Ｌ＾２２〈Ｌ＾２３）的统计平均;链长相同时,接枝     

Monte Carlo study of the antiferromagnetical Ising model on a centred honeycomb lattice

We use the Monte Carlo method to study an antiferromagnetical Ising spin system on a centred honeycomb lattice, which is composed of two kinds of 1/2 spin particles A and B. There exist two different bond energies J_A-A and J_A-B in this lattice. Our study is focused on how the ratio of J_A-B to J_A-A influences the critical behaviour of this system by analysing the physical quantities, such as the energy, the order parameter, the specific heat, susceptibility, {etc} each as a function of temperature for a given ratio of J_A-B to J_A-A. Using these results together with the finite-size scaling method, we obtain a phase diagram for the ratio J_A-B / J_A-A. This work is helpful for studying the phase transition problem of crystals composed of compounds.     

基于Monte Carlo模拟的化学反应动力学参数估算

提出并采用基于MonteCarlo模拟与动力学实验相结合的化学反应动力学参数估算方法,由基元反应确定MonteCarlo模拟具体做法,将MonteCarlo模拟结果与动力学实验结果相比较,根据比较结果自动调整和优化动力学参数,从而无需事先确定动力学方程即可有效估算各种化学反应的动力学参数值.采用该方法估算了丙烯氨氧化反应动力学参数,并对估算结果进行了分析与讨论.     

微槽道气体流动的统计模拟

利用基于分子模型的统计模拟方法——信息保存方法(IP)统计模拟了实验条件下微槽道气体流动,仔细讨论了用IP方法模拟长槽道稀薄气流时遇到的问题,并给出了解决的方法,即采取守恒形式的控制方程避免质量流量计算误差积累,并利用超松弛方法使收敛过程加速.将IP计算结果与压力分布和质量流量实验数据进行了比较.     

关于状态分立系统的改进的Metropolis方法

对状态分立系统的平衡态统计问题给出了一个改进的Metropolis方法,并在伊辛模型上与传统方法进行了对比,得到了一致的结果,效率提高了约25%.针对伊辛模型的抽样过程给出了其马尔科夫过程所对应的Master方程.将所提出的方法应用于伊辛模型,相当于对其Master方程进行了模拟.作为推广,一大类临界动力学模型的Master方程都可以用本方法进行模拟,以用于其暂态过程的研究.     

采用壳层效应屏蔽长度Monte Carlo方法计算溅射产额

使用ACAT模拟程序计算了不同离子碰撞在单原子材料上的溅射产额.采用山村等人提出的考虑壳层效应的理论屏蔽长度,原子间作用势用Moliére势.并将计算结果与实验数据和山村等的经验公式进行了比较.