Molecular Dynamics Simulations of Thermal Properties of Solid Uranium Dioxide

Molecular dynamics simulations are performed with the recently developed empirical interaction potential by Morelon et al. Thermodynamics properties of solid UO2 that have been assessed include melt point, density, enthalpy, heat capacity, lattice parameter variation with temperature, mean-square-displacement and diffusion coefficients of oxygen ion. The results are compared with the data in literature and it is suggested that the rigid ionic potential provides perfect results below the superionic range. The data showing thermodynamics properties will become unacceptable when the temperature is higher than 2500 K. Compared with the previous empirical potentials, the empirical potential developed by Morelon et al. improves the agreement of these data with the recommend ones.     

Theoretical Study on Thermodynamic Properties and Hydrophilicity of Polychorinated Phenothiazines （PCPTZs）

The thermodynamic properties of 135 polychlorinated phenothiazines (PCPTZs) in the standard state are calculated using a combination of quantum mechanical computations performed with the Gaussian 03 program at the B3LYP/6-311G** level, and their octanol-water partition coefficients (logKow) are calculated based on group contributions. The chlorine substitution pattern strongly influenced the thermodynamic properties and hydrophilicity of the compounds. The thermodynamic properties of congeners also depend on the chlorine substitution pattern. The effect of chlorine substitution pattern is quantitatively studied by considering the number and position of Cl atom substitution (NPCS). The results show that the NPCS model may be used to predict the thermodynamic properties and hydrophilicity for all 135 PCPTZ congeners.     

Properties of Traffic Risk Coefficient

We use the model with the consideration of the traffic study the relationship between the traffic risk coefficient interruption probability （Physica A 387（2008）6845） to and the traffic interruption probability. The analytical and numerical results show that the traffic interruption probability will reduce the traffic risk coefficient and that the reduction is related to the density, which shows that this model can improve traffic security.     

相同的性质不同的表述

文[1]《2010年四川卷理科20题的引申》一文给出并证明了这样一个性质(表述1.1),这里以焦点在x轴上的椭圆为例.     

“一次函数的图像与性质复习”教学设计

教材内容 本节课的教学内容是中考数学总复习中的“一次函数复习”．一次函数是初中数学的核心内容，也是重要的基础知识和数学思想，不仅与高中数学知识有着密切的联系，而且还在实际生活中有极为广泛的应用，是联系数学知识与实际问题的纽带和桥梁，是中考数学试卷中不可缺少的重要内容．     

Effective Action for Noncommutative U（1） Gauge Theory with Higher Dimensional Terms

In this paper we apply the assumption of our recent work in noncommutative scalar models to the noncommutative U（1） gauge theories. This assumption is that the noneommutative effects start to be visible continuously from a scale ANC and that below this scale the theory is a commutative one. Based on this assumption and using background field method and loop calculations, an effective action is derived for noncommutative U（1） gauge theory. It will be shown that the corresponding low energy effective theory is asymptotically free and that under this condition the noncommutative quadratic IR divergences will not appear. The effective theory contains higher dimensional terms, which become more important at high energies. These terms predict an elastic photon-photon scattering due to the noncommutativity of space. The coefficients of these higher dimensional terms also satisfy a positivity constraint indicating that in this theory the related diseases of superluminal signal propagating and bad analytic properties of S-matrix do not exist. In the last section, we will apply our method to the noncommutative extra dimension theories.     

2011年中考考点复习策略(8)———四边形

四边形部分包括了特殊四边形如:"平行四边形、矩形、菱形、正方形和梯形"它们都能自成一体系,同时又相互联系.这部分内容涉及到的概念、性质、判定、定理较多,纵观近几年全国各地的中考数学试题     

Linear and Nonlinear Optical Absorptions of a Donor Impurity in Spherical Quantum Dots

An investigation of the optical properties of a hydrogenic donor in spherical parabolic quantum dots has been performed by using the matrix diagonalization method. The optical absorption coefficient between the ground （L = 0） and the first excited state （L = 1） have been examined based on the computed energies and wave functions. The results are presented as a function of the incident photon energy for the different values of the confinement strength. These results show the effects of the quantum size and the impurity on the optical absorption coefficient of a donor impurity quantum dot.