In this paper a new method was set up to investigate the indentation process through computing average potential and radial distribution function ( RDF) of workpiece at the same time. 本文应用平均势能和径向分布函数相结合方法对压痕过程进行考察。
A systematic methodology is proposed to deal with the weighted density approximation version of classical density functional theory by employing the knowledge of the radial distribution function of bulk fluid. 通过使用体相流体径向分布函数,提出了一个关于经典密度泛函理论中权重密度型近似的方法学。
Phase equilibria and radial distribution function(ⅰ) mass flux criterion for phase equilibria 相平衡和径向分布函数(Ⅰ)&相平衡的质量通量准则
A modified square well analytical radial distribution function was derived. 由改进的方阱位能模型径向分布函数的解析式,结合统计热力学的方法关联纯物质的表面张力。
The structure of silica fibers made by high-purity quartz fusion method, acid leaching method, and sol-gel method was studied by using Raman spectroscopy and X-ray radial distribution function ( RDF). 用Raman光谱和X射线径向分布函数研究了高纯石英熔融法、酸沥滤法和溶胶-凝胶法三种不同方法制取的高纯SiO_2纤维的结构。
The irradiation appeared to produce obvious changes in the pair correlation function g ( r) and radial distribution function RDF ( r). 结果表明,辐照在两种样品的对关联函数g(r)以及径向分布函数RDF(r)上都引起明显的变化;
The Concept and Discussion of the Radial Distribution Function 径向分布函数D(r)的概念及讨论
An investigation on the partial structures of natural RESINES by radial distribution function 天然树脂局部结构的径向分布函数研究
The structure IPF ( Inorganic Polymer Floccutant) TX203 has been studied using the wide angle X-ray scattering ( WAXS) and radial distribution function ( RDF). 本文用广角度X射线散射(WAXS)和径向分布函数(RDF)方法对聚合硅硫酸铝钾TX203絮凝剂的结构进行了分析。
The radial distribution function, common neighbors, internal energy and volume of the system were recorded during the processes. The atomic internal energy, atomic Voronoi volume and atomic stress field of the relax system were analyzed at zero temperature. 记录了系统能量、体积、径向分布函数及公共近邻的变化,并在0K分析了弛豫后系统原子内能、原子Voronoi体积及原子应力等热力学性质的分布情况。
By improving the molecular interaction energy model, an equation for coordination number of pure fluid at high temperature was obtained with the help of the radial distribution function theory and virial equation. 从改进的势能函数出发,由径向分布函数理论和维里方程导出高温下纯流体配位数的计算公式,并与Sandler法结合求得简化的扰动型软球状态方程。
The basic principle of a Radial Distribution Function RDF ( R) computed by sampled transform method was discussed here in this paper. 讨论了抽样转换法(Sampledtransformmethod)计算径向分布函数RDF(R)的基本原理。
Relation between radial distribution function of a pair of solvent molecules and chemical potential of solute and solvent is derived. The macroscopic criterion for determining infinite dilution is obtained by use of the relation. 统计热力学分析给出了溶剂溶剂径向分布函数与溶质和溶剂化学势之间的关系,给出了无限稀溶液模型是否成立的宏观判据。
The structural analysis method for high temperature melt by X-ray scattering is introduced in this paper, including experimental apparatus, calculation principle of radial distribution function, processing of the data and its an example. 本文介绍了高温熔体X射线散射实验装置,溶液径向分布函数计算原理,实验数据处理以及一个径向分布函数测定计算实例。
The calculation of partial radial distribution function of ions, heat of mixing and potential energy distribution shows that the average distance between Li~+ and F~-ions will significantly narrow after molten LiF and KF mix up. 对各离子间的偏径向分布函数和混合热、位能分布等的计算表明,LiF与KF熔盐混合后,Li~+,F~-离子间平均距离减少,与互易盐系LiF-KCl溶液的模拟结果相似。
Concept of the radial distribution function and the interface layer model of physical interface are used to discuss theoretically the Stefan formula. 本文应用径向分布函数概念和物理界面界面层模型,对Stefan公式进行了理论讨论。
The partial radial distribution function, the angular distribution functions and the homogeneity of the model are calculated by comparing and analysing the change in the same structure parameters during relaxation, besides, the chemical short-range order of the structure of the amorphous alloy is discussed. 计算了模型的简约部分径向分布函数、角分布函数及均匀度。通过分析和对比松弛前后的各种结构参数的变化,讨论了结构的化学短程序。
The paper has been tested RDF ( Radial Distribution Function) method of amorphous by X-ray diffraction. It has been studied by polystyrene amorphous structure. 本文介绍了以X-射线衍射法测定非品区结构的径向分市函数RDF方法,并将其应用于聚苯乙烯(PS)非晶区的结构研究。
In addition, the radial distribution function of pure water at 300K has also been calculated by indirect constant NVT Monte Carlo simulation. 并采用间接的NVT蒙特卡罗方法,计算了水在300K下的原子对径向分布函数。
Bond Orientation and Radial Distribution Function of Fractional Quasicrystal Structure 准晶体分数维结构的键取向序和径向分布函数
Meanwhile, we have investigated the radial distribution function ( RDF) which it reflects the microscopic structure of system. 另外,我们对反映体系微现结构的MgO径向分布函数(RDF)进行了分析。
Prediction of PVT Properties of Real Fluid Using Radial Distribution Function and Lennard-Jones Potential Model 用径向分布函数及Lennard-Jones位能模型计算真实流体的PVT性质
The structure transformations have been studied by X ray diffraction ( XRD) and radial distribution function ( RDF). Chemistry titration has been employed to determine residual B 2O 3 content in the BN fibers. 采用化学滴定、X射线衍射(XRD)及径向分布函数(RDF)等方法,测定了BN纤维中残余B2O3含量与氮化温度的关系,研究了氮化过程中BN纤维的结构演变规律。
The analytic expression for the Percus-Yevick radial distribution function of hard spheres is derived at coordination space, in terms of the Carnahan-Starling equation of state, a simple method is utilized to improved the expression, and the Laplace transformation for the improved expression also is derived. 作者推导了Percus-Yevick硬球径向分布函数在坐标空间的解析表达式,根据Camahan-Starling状态方程,采用一个简单方法对其进行了修正,并给出了修正后的普拉斯变换解析表达式。
Phase equilibria and radial distribution function(ⅱ) micro-phase equilibria method for calculating radial distribution function 相平衡和径向分布函数(Ⅱ)&计算径向分布函数的微相平衡法
The radial distribution function is introduced in order to take into account the effect of the uneven local particle concentration on the particle collision probability. 采用了引入径向分布函数的颗粒间碰撞概率的计算方法,考虑局部颗粒浓度不均匀性对颗粒碰撞概率的影响。
Furthermore, layer coverage and radial distribution function ( RDF) are associated with the incident energy and substrate temperature. The peak values of RDF are increased after annealing, and this indicates that annealing treatment could enhance crystallization of thin film. 层覆盖率和径向分布函数结果显示,入射能和基片温度对薄膜有一定的影响;而退火后,RDF的各个峰值都有增大,表明退火处理增强了薄膜的晶化。
The structural properties we studied include a radial distribution function in bulk and density distribution due to influence of several external fields. 所研究的结构特性包括体相流体的径向分布函数和在各种外场影响下的密度分布。
Finally, the structure factor was used to characterize the LAM structures, and the results are in agreement with the conclusion obtained by radial distribution function and density distribution. 2. 最后,我们还采用结构因子表征LAM相结构,其结果与径向分布函数、密度分函数的结论一致。