Thermodynamical Fluctuation of Number Density of Particles in Grand Canonical Ensemble of Perfect Systems 理想体系巨正则系综中粒子数密度的热力学涨落
The effects due to the interaction and finite size are given simultaneously by using the sum method for the grand canonical ensemble and mean field theory. 利用巨正则系综的求和方法与平均场理论,给出了有限粒子数与原子间相互作用对系统热力学性质的共同修正;
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? 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。
Under canonical ensemble theory, their finite temperature specific heat capacity is calculated. 采用正则系综理论,计算出核的有限温度比热容。
Using the density matrix of the canonical ensemble, we have deduced the formulate of the quantum fluctuations of both charge and current in a non dissipative mesoscopic coupled circuit. And the dependences of the quantum fluctuation of the circuit on its temperature have obtained. 根据正则系综的密度矩阵导出耦合互感电路中电荷和电流的量子涨落,得到了量子涨落与温度的依赖关系。
In the canonical ensemble, the free energy of the spin system is continuous all the time, but its first-order derivative, namely the entropy, has a discontinuous point in the effective temperature area; 在正则系综描述下,自旋系统的自由能始终连续,而自由能的一级偏导数(即熵)在有效温度区域内始终存在一个不连续点,因此,谣言系统内存在一级相变;
The Quantum Fluctuation of a Mesoscopic Coupled Circuit in the Canonical Ensemble 正则系综中介观耦合电路的量子涨落
Derivation of quadratic virial equation of state by modified canonical ensemble method 改进的正则系综法对二阶Virial方程的推导
The network properties of a micro-canonical ensemble, canonical ensemble and grand canonical ensemble are studied. 本文研究了微正则系综,正则系综和巨正则系综中网络的统计性质。
Every entropy is deduced via the probability distribution functions of microcanonical ensemble, canonical ensemble, grand canonical ensemble and isothermal-isobaric ensemble, and each is formulated as the definition of entropy in these ensembles. 根据微正则系综、正则系综、巨正则系综、等温等压系综的概率分布函数推导出各个系综的熵,并且推导出这几种系综的熵可用统一的熵的定义式来表示。
The computational result shows that there is a first-order transition in the system described by the canonical ensemble, but no when described by the micro-canonical ensemble. It means that both ensembles 'descriptions of the transition's order in the model system are not equivalent. 计算结果显示,模型系统在正则描述下出现一级相变,而在微正则描述下不出现,表明正则和微正则系综对该系统相变级数的描述不等效。
Canonical ensemble description of multifractal measure 多分形测度的正则系综描述
The constant-NVT canonical ensemble Monte Carlo method has been used to simulate the phase equilibrium of linear molecule in this text. 本文用恒NVT正则系综MonteCarlo方法模拟线性分子的相平衡特性。
In this paper, the sufficient thesis and the necessary thesis of the equivalence between the grand canonical ensemble and canonical ensemble are completely discussed. 本文对巨正则系综与正则系综等价性的充分性命题与必要性命题作了全面的讨论。
Strict Solution of Relative Fluctuation About Grand Canonical Ensemble Energy and Pressure Under High Temperature and Low Density 巨正则系综在高温低密度条件下能量和压强相对涨落的严格解
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. 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。
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. 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。
Applying the stepwise sampling method proposed by the authors to the NPT canonical ensemble, an efficient approach for the estimation of the excess Gibbs free energy of fluid mixtures is presented. 应用作者提出的逐级取样方法于NPT正则系综,提出了有效求取流体混合物超额Gibbs自由能的模拟方法。
Using microscopic sdIBM-2 formalism and procedure of canonical ensemble average, finite-temperature specific heat of nuclei is calculated. The existence of peaks in the specific heat shows the occurrence of phase transition of thermal excitation mode. 应用微观sdIBM-2形式体系、正则系综平均法和鞍点近似,能计算出核在有限温度下的比热,比热峰的存在表明核发生了热激发相变。
Based on the canonical ensemble correlation prediction ( CECP) model for seasonal precipitation anomaly, space-temporal characteristics between SSTA and summer ( JJA) precipitation in China are analyzed, using various seasons and different regional sea surface temperature anomalies ( SSTA) as predictor fields. 利用季降水异常的典型集合相关降水模式,分析了不同时段和不同区域的海温场与我国夏季(6-8月)降水之间的时空分布特征。
The molecular interaction between protein and surfactant and its implication on the refolding of the protein in vitro was investigated by using the simple lattice model with dynamic Monte Carlo simulation and canonical ensemble. 采用分子模拟方法考察表面活性剂与蛋白质分子之间的相互作用及其对蛋白质折叠过程热力学特性的影响,蛋白质分子构建采用HP模型并引入了方阱类势函数。
A time like component equation, entropy equation, is derived from the projecting relativistic hydrodynamics equation including an effect of quark flavor kinetics and by using the thermal grand canonical ensemble relation. 将包含夸克味动力学效应的相对论性流体力学方程投影,利用热力学巨配分系综关系,导出其类时分量方程&熵方程。
It is shown that there indeed exists stable thermal equilibrium for the system in the canonical ensemble in which the temperature and surface area are fixed at a finite boundary. 结果表明:对于在有限边界处温度和表面面积固定的正则系综,系统的确存在稳定的热平衡。
When we take the black hole as a canonical ensemble composed of a naked black hole and the two-dimensional thermodynamic surface ( horizon of the black hole), using the quantum statistical method, we derive the energy spectrum of the black hole Hawking radiation. 将黑洞看作由裸黑洞和二维热力学面(黑洞的视界)组成的正则系综,利用量子统计方法给出黑洞Hawking辐射的能量谱。
This paper is an application of Gibbs canonical ensemble to the derivation of Boltzmann Distribution law. 应用吉布斯正则系综导出了玻耳兹曼分布律。
Computer Simulation of the Carrier Number in Silicon Semiconductor with Grand Canonical Ensemble Method 巨正则法对硅半导体中载流子数的计算机模拟
Computer Simulation of Canonical Ensemble of Dilute Solution Monte Carlo Calculation of Thermodynamic Quantity of Solution of Adenine Bases 稀溶液正则系综的计算机模拟&核酸碱基腺嘌呤溶液的热力学量的蒙特卡罗计算
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. 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。
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. 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。
Based on the canonical ensemble, self-consistent field theroy model was highlighted. 建立在正则系综的基础上,对自洽场理论模型进行重点介绍。