hard sphere

In order to study the thermodynamic properties of chain molecules and their mixtures, an equation of state for homonuclear square well chain molecules is formulated by applying thermodynamic perturbation theory of Wertheim, on the basis of the equation of state for hard sphere chain fluids.

为研究链状分子物质（如烷烃等）及其混合物的热力学性质，应用Wertheim的热力学微扰理论，在链状硬球流体状态方程的基础上，发展得到了链状方阱流体的状态方程。

The twin induced by impurity atom in the FCC crystal was studied by calculation based on the hard sphere model.

为研究杂质原子在面心立方晶体内诱发的孪晶，采用刚性球模型进行计算研究。

The experimental results seem to show that the short-range order of amorphous Cu 56 Zr 44 alloy at room temperature is of hard sphere random dense packing.

实验结果表明，非晶态Cu56Zr44合金在室温下的短程结构类似于硬球无规密堆积分布.在703K过冷液相区内等温退火时发现，当退火时间为3min时，晶化产物主要为Cu8Zr3相；

According to the "Empirical Electron Theory in Solid and Molecule ( EET)", with the" hard sphere model", the valence electronic structures of the GP zone in Cu-Cr alloys are calculated.

应用固体与分子经验电子理论（EET），采用硬球模型，对Cu-Cr合金GP区的价电子结构进行计算。

The results indicate that the hard sphere fluid shows the highest density in the vicinity of the slit pore, and a maximum density emerges at the distance of a molecular diameter to the wall.

结果表明，靠近狭缝，硬球流体的密度最大；在距硬壁一个分子直径附近也出现一个密度极大值；

Density functional theory ( DFT) for nonuniform systems containing chain like molecules based on cavity correlation functions ( CCF) is presented. Chain like molecules confined between two planes are treated as tangent jointed hard sphere chains with intermolecular and intramolecular attractive force between the spheres.

提出了一个基于空穴相关函数的非均匀链状分子系统的密度泛函理论，其中，链分子是相切连接的柔性硬球链，并处于两块平行的无限大平板之间。

The hard sphere model is used to describe inter-particle collisions.

采用硬球模型描述颗粒问碰撞作用.

Both a free volume approach for Helmholtz free energy and a theoretically-based fitted formula for radial distribution function ( rdf) of hard sphere solid were employed to describe the Helmholtz free energy of Lennard-Jones ( LJ) solid in the framework of first order thermodynamic perturbation theory.

结合描述硬球固体Helmholtz自由能的自由体积方法与描述硬球固体径向分布函数的拟合的分析表达式与一阶热力学摄动理论，用于描述Lennard Jones（LJ）固体的Helmholtz自由能。