理想分子体系中渗流阈值与回转半径的幂律关系
Molecular-shape- and size-independent power-law dependence of percolation thresholds on radius of gyration in ideal molecular systems
摘要：
用分子蒙特卡罗模拟技术模拟了由各种分子形状和大小的模型均质刚性分子组成的三维单组分理想气体体系。我们发现，这样的单组分系统的渗流阈值的结果，当分子体积是固定的，幂律递减函数的回转半径（gyradius）的分子。具有相同分子体积和回转半径参数集，但分子形状不同的体系，其逾渗阈值相同。此外，我们还发现，一个无量纲的无标度参数，这是之间的比值的回转半径和真正的分子体积的立方根，唯一决定的逾渗阈值。
英文摘要：
Three-dimensional single-component ideal gas systems composed of model homogeneous rigid molecules in various molecular shapes and sizes are simulated by a molecular Monte Carlo simulation technique. We reveal that percolation thresholds of such single-component systems result in, when the molecular volume is fixed, power-law decreasing functions of the radius of gyration (gyradius) of the molecules. The systems with the same parameter set of the molecular volume and radius of gyration, but in different molecular shapes, show the identical value of the percolation threshold. Moreover, we also reveal that a dimensionless scale-free parameter, which is the ratio between the radius of gyration and real cube root of the molecular volume, uniquely determines the percolation threshold.
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