论文标题
在理想分子系统中，渗透阈值对旋转半径的分子形状和大小无关的幂律依赖性
Molecular-shape- and size-independent power-law dependence of percolation thresholds on radius of gyration in ideal molecular systems
论文作者
论文摘要
三维单成分理想气体系统由各种分子形状和大小的模型刚性分子组成，由分子蒙特卡洛模拟技术模拟。我们揭示了这种单成分系统的渗透阈值会导致，当分子体积固定时，幂律降低了分子旋转半径（Gyradius）的功能。具有相同参数集的分子体积和回旋半径的系统，但在不同的分子形状中显示了渗透阈值的相同值。此外，我们还揭示了无尺度的参数，即分子体积的回旋半径与真实立方根之间的比率唯一决定了渗透阈值。
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.
