系综

巨正则系综MonteCarlo方法模拟甲烷在活性炭孔中的吸附存储

Grand canonical ensemble Monte Carlo simulation of adsorption storage of methane in slit micropores

巨正则系综MonteCarlo模拟方法确定活性炭的微孔尺寸

Grand Canonical Ensemble Monte Carlo Simulation for Determination of Pore Size of Activated Carbon

Gibbs系综MonteCarlo方法研究流体相平衡

Phase Equilibria of Fluids by Gibbs Ensemble Monte Carlo Method

C（12）AuMPCs系综库仑台阶充电效应

Ensemble Coulomb Staircase Charging Effect of C_ ( 12 ) Au MPCs

NPT系综MonteCarlo分子模拟方法的改进

An improved technique of Monte Carlo simulation in NPT ensemble

经典Kerr黑洞和量子Kerr黑洞系统的微正则系综理论描述与统计自举条件

Microcanonical statistics of Kerr black holes and the bootstrap condition

改进的正则系综法对二阶Virial方程的推导

Derivation of quadratic virial equation of state by modified canonical ensemble method

用NPT系综模拟计算方阱位能流体

Computer Simulation of NPT Ensemble for Square Well Fluids

通过将Nose所定义的扩展系统哈密顿量推广到刚性多原子分子系统中，严格地推导了刚性多原子分子在正则系综下的运动方程。

By specializing the Hamiltonian of Nose 's extended system in rigid multibody systems , we develop rigorous motion equations for rigid multibody molecular dynamics in canonical ensemble .

本文用恒NVT正则系综MonteCarlo方法模拟线性分子的相平衡特性。

The constant-NVT canonical ensemble Monte Carlo method has been used to simulate the phase equilibrium of linear molecule in this text .

在此基础上，采用NTP系综、EAM（EmbedAtomMethod，嵌入原子法）势对Ashby-Verrall模型和晶粒转出模型进行了分子动力学模拟拉伸。

Based on these programs , a tension simulation of the Ashby-Verrall model is done with NTP ensemble and EAM ( Embed Atom Method ) .

应用NPT系综法模拟考察了五种水的势能模型。

Five water potential energy models have been investigated in this paper by NPT ensemble Monte Carlo method .

其中，光场与原子系综相互作用过程中产生的量子相干效应是实现量子接口的有效途径之一，尤其是电磁诱导透明（EIT）的广泛应用。

Atomic coherence effect of electromagnetically induced transparency ( EIT ) is one of the effective ways to achieve quantum interface .

提出了一个混合势模型，利用巨正则系综蒙特卡罗方法分别研究了氮气、甲烷及乙烷在MCM-41中的吸附等温线。

A hybrid potential model for MCM-41 and the grand canonical Monte Carlo simulation of the adsorption of simple fluids in it ;

本文导出了一二能级原子系综与多模压缩光场相互作用的Bloch方程。

In this paper , the optical Bloch equations of a two-level atom ensemble driven by squeezed light field are derived .

研究结果表明：文中得到的LJ纯流体汽液相平衡密度与采用Gibbs系综MonteCarlo模拟计算结果基本一致；

It has been found that the densities of liquid and vapor phases are in agreement with the results from the Gibbs ensemble Monte Carlo simulation .

其次，我们研究了原子系综对动态Casimir效应的影响。

Secondly , we discussed dynamical Casimir effect and collective excitations in atom ensemble are investigated in a non-stationary cavity .

对Lennard-Jones流体的模拟结果表明，该方法与现行的NPT系综模拟方法相比具有更快的收敛速度。

The simulation results for Lennard-Jones fluids show that the new technique is more effi - cient than the old one .

利用量子正则系综理论研究了介观RLC电路在混合态下的量子涨落。

By making use of the quantum canonic ensemble theory , the quantum fluctuations of a mesoscopic RLC circuit in the mixed state have been studied .

采用巨正则系综蒙特卡罗（GrandCanonicalEnsembleMonteCarlo，GCEMC）方法模拟了不同结构参数（管径和管间距）的单壁碳纳米管在不同操作工况（温度和压力）下的吸附储氢性能。

Hydrogen adsorption storage ability of single - walled carbon nanotube with different tube diameter and inter-spacing was simulated with Grand Canonical Ensemble Monte Carlo method in different operation temperature and pressure .

通过调节体系密度使得体系的瞬时压力保持恒定，从而实现NPT系综的MonteCarlo分子模拟。

An improved technique of Monte Carlo simulation in NPT ensemble is proposeed , in which the instantaneous pressure of the system is kept constant by adjusting its density during the sim - () tion .

用分子动力学（MD）模拟方法在150～376K的温度范围内对液态水的微正则系综进行了研究。

The microcanomical ensemble of liquid water was studied by using molecular dynamics simulation at temperatures ranging from 150 to 376K .

ALADIN热曲线的微正则系综分析

Microcanonical Ensemble Analysis of ALADIN Caloric Curve

主要工作如下：（1）基于引力系统的长程性和非广延性，根据广义统计力学用微正则系综来讨论引力Toy模型。

Our main work is following : ( 1 ) A toy model of gravity in microcanonical ensemble is investigated according to generalized statistical mechanics which is more suitable to gravitating system because of its long range and non-extensive features .

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 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 ?

将这一系综看作连续介质的概率流体，给出其动力学描述，并以SU（1.1）线性非自洽量子系统为例进行具体讨论。

Then the ensemble is considered as the probability fluid of continuous meson , and the dynamics description of the probability fluid is given and specific discussions are made taking the linear nonautonomous dynamics system with SU ( 1.1 ) as example .

为了结合广义正则系综的优势，本文研究并实现了广义正则系综下的Wolff算法，该方法具有可控分布和动力性强的双重优势，增加MonteCarlo模拟的探测能力。

In combination of the advantages of generalized canonical ensemble , this work realizes the Wolff algorithm of generalized canonical ensemble , which has double advantages of distribution-adjustable and strong dynamics , and increases the detection ability of Monte Carlo simulation .

在此基础上，采用巨正则系综MonteCarlo模拟（GCEMC）和经典密度泛函理论来研究粒子间具有有效振荡势的模型流体的结构特性。

On these bases , the present author investigates the structural properties of a model fluid dictated by an effective inter-particle oscillatory potential by grand canonical ensemble Monte Carlo ( GCEMC ) simulation and classical density functional theory .

由于光场随传播距离是指数衰减，所以实现远距离量子通信中量子中继的使用是必须的，Duanetal.提出使用原子系综做为量子中继。

Photons are decayed exponentially as the increment of the distance , therefore quantum repeaters are needed in the long distance quantum communication . Duan et al . have shown us that the atomic ensemble can be used as the quantum repeater .

本论文的主要目的是探讨正则系综平衡态的对热纠缠。首先研究了哈密顿量为H（XXX）

In this paper , we mainly study pairwise thermal entanglement of thermal equilibrium state in a canonical ensemble . Results show that it is about 700 ~ 800 s for the tested-bearing to reach its thermal equilibrium state during start-up under the full lubricating condition .