此外，还计算了六个温度下两相的构型能、压力和径向分布函数。
In addition, the configurational energies and pressures of the two phases at six temperatures were also given.
计算了各压力下的径向分布函数、局域压力的空间分布及粒子数分布。
The radial distribution functions, spatial distributions and the particle number distribution of local main stress in amorphous at each pressure are calculated.
通过两结构模型对径向分布函数非对称展宽、配位数、键角分布和粘度作了讨论。
By using two-structure linear combination model, the asymmetric broadening of RDF, the coordination number, the bond Angle distribution and the viscosity of chlorides have also been discussed.
和H -O的径向分布函数分析表明层间水分子的结构和水中水分子的结构不同。
Radial distribution functions of na - o, o - o and H-O analysis illustrate that the molecular structure of interlayer water is different from the bulk solution.
通过大角度X射线散射分析，求出了新型无机离子交换剂六偏磷酸锡的径向分布函数，推断其化学结构。
The structure of an amorphous inorganic ion exchanger-stannic hexametaphosphate is postulated with radial distribution function (RDF) by X-ray diffraction.
模拟获得的径向分布函数和扩散系数的值与实验基本吻合，分子间作用能分布也与文献报道的趋势一致。
The simulated radial distribution function and diffusion coefficient also accord with experiment basically. Rather, the pair distribution function is consistent with the literature reported.
本文根据熔盐的径向分布函数理论，对于含一价离子的二元熔盐溶液，提出了三度空间的熔盐溶液统计模型。
From the radial distribution function theory of molten salts, a three-dimensional statistical model was suggested for binary salt solutions, containing monovalent ions only.
利用已知的压缩因子分子动力学模拟数据，回归得到了这两个径向分布函数，从而建立了一个新的方阱流体状态方程。
The molecular dynamic data of compressibility factor are used to regress this two localized radial distribution functions. Therefore, a new equation of state of square well fluids is established.
本文根据径向分布函数理论，导出了一个新的统一的溶液过量焓和过量自由焓模型，并用可靠的计算机模拟数据进行了对照检验。
Based on the theory of radial distribution function, a new unified model for excess enthalpy and excess Gibbs free energy of liquid solution was proposed.
将自由结合链看成一个微观系统，应用最大熵原理推导出自由结合链末端距的径向分布函数，进而证明自由结合链的末端距符合高斯分布。
From the principle of maximum entropy, the radial distribution function of the end-to-end distance was deduced directly, and it is indicated that the function is Gauss-type function.
将自由结合链看成一个微观系统，应用最大熵原理推导出自由结合链末端距的径向分布函数，进而证明自由结合链的末端距符合高斯分布。
From the principle of maximum entropy, the radial distribution function of the end-to-end distance was deduced directly, and it is indicated that the function is Gauss-type function.
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