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Thirdly, by adopting Lennard-Jones potential model and MD method, we build a MD simulation cell, which contains the information of a Grand Canonical Ensemble, and the elastic collision mechanism, and then simulate the process of hydrogen physisorption in single walled carbon nanotube.

然后，建立一个包含巨正则系综信息的分子动力学模拟元胞和弹性碰撞机制，采用Lennard-Jones势能模型和MD方法，对单壁碳纳米管储氢的物理吸附过程进行了模拟计算。

Monte Carlo simulations of phase equilibria for lattice polymer systems with chain length r=1,2,4,8 are carried out in the canonical ensemble. All chain molecules are introduced into the cell regularly upon initiation, followed by being perturbed through the repta-tion, end - rotate, crank - shaft and L - flip motions.

应用修正的Widom试验粒子方法在三维立方格子中计算了链节数分别为r=1，2，4，8的链状分子在不同温度、密度下的剩余化学位，然后运用热力学关系计算了以上系统在不同温度、密度下的化学位、压力和压缩因子，并求得系统的相平衡曲线和临界点。

By using grand canonical ensemble Monte Carlo method, machanism for the adsorption of methane in single wall carbon nanotubes at 74.05 K has been investigated. It is found that the adsorption of methane in smaller SWNTs, whose diameters are 1.22nm and 1.632nm, exhibits "pore filling" behavior. In contrast, for the SWNTs of diameter larger than 2.04nm, capillary condesation takes place.

采用巨正则系统MonteCarlo方法研究了甲烷在单壁碳纳米管(Singlewallcarbonnanotube，SWNT)中于低温74.05K下的吸附等温线及吸附机理，发现在两个较小的孔径(1.225nm和1.632nm)下单壁碳纳米管中甲烷的吸附有着明显的微孔所独有的"填充效应"，而在2.04nm以上的孔的吸附中会出现毛细凝聚现象。

Semi-classical Approximation; PVTN Properties via Configuration Integral from Intermolecular Effects; Grand Canonical Ensemble II - Examples

半经典近似；对分子间作用，作定积分而得的PVTN性质；巨正则效果II

The phase equilibrium of linear molecule,ethane,has been simulated by using the NVT canonical ensemble Monte Carlo method,and the thermodynamic properties of the system including chemical potentials ?temperature?density?pressure,etc.

用恒NVT正则系综MonteCarlo方法模拟线形分子—乙烷的相平衡，得出化学势、温度、密度、压力等热力学数据。

The main contents include ? the foundation of MD simulation cell in Grand Canonical Ensemble;? the establishment of elastic collision mechanism between hydrogen molecules and carbon nanotube walls and arithmetic design;? molecular dynamics simulation details of hydrogen physisorption in single walled carbon nanotube arrays and program design;? the acquirement and analysis of computer simulation results, where the influences of tube diameter, distance between tubes, temperature and pressure on hydrogen physisorption in SWCNTA are investigated in detail.

主要内容为：①巨正则系综分子动力学模拟元胞的创建；②氢分子与碳纳米管壁弹性碰撞机制的建立及算法设计；③碳纳米管阵列物理吸附储氢的分子动力学模拟细节及程序设计；④计算机模拟研究结果的获取与分析，重点研究了管径、管间距、温度和压强对单壁碳纳米管阵列物理吸附储氢的影响。

Three meshes ; mesoscopic coupled circuit ; canonical ensemble ; quantum fluctuation

三网孔；电容耦合电路；正则系综；量子涨落

This text explains the ensemble architecture of the intelligent CAPP system based on group technology.

本文主要阐述了基于成组技术的智能型CAPP系统的总体结构组成和实现方法。

Have used the three-dimensional entity software SOLIDWORKS to carryon the entity modeling of the part in the course of designing,design with the ensemble architecture .

设计过程中使用了三维实体软件SOLIDWORKS进行了零件的实体建模，和总体结构的设计。

In August2002, a group of friends who regularly attended classical music performances together organized a concert of chamber music before they moved on to university, and thence Ensemble ad Infinitum was born.

二零零二年八月，数个经常相约一同欣赏音乐会的朋友，趁高考过后、大学之前的悠长假期搞了一场室乐音乐会，无限乐团自此组成。

For every one of my New Year resolutions, I have been a backslider for years.

说到我的新年决心，我每年都做

With empathy and focus on a feeling level, we can all relate to the common ground of mutuality of emotions.

有了同情心和感觉上一级的重点，我们都可以涉及到相互的情感共同点。