簡單液體的Voronoi體積分佈的普遍性之探討

Abstract

本篇論文是分析簡單液體原子在熱平衡狀態下其Voronoi體積的分佈，探討該分佈是否具有普遍性。我們研究的液體計有LJ2n-n液體(n=6、12 and 18)、TLJ2n-n液體(n=6、12 and 18)、Hard Sphere液體，以及鎵、鋰、鈉、鉛等液態金屬。我們以Voronoi體積分佈的skewness來分析其是否具有普遍性，得知液體系統的compression factor 愈高，其分佈的skewness愈小；而後我們以Log-normal 分佈來近似這些Voronoi體積分佈，最後結論為先取自然對數後再rescale所得到的分佈是一普遍性的曲線。

In this thesis, we study the universality of the Voronoi-Volume distribution of dense simple fluids in thermal equilibrium. The fluids we study include LJ2n-n fluids(n=6,12,and 18)、TLJ2n-n fluids(n=6,12,and 18)、Hard Sphere fluid and metallic liquids：gallium、lithium、sodium and lead. We analyze the Voronoi-Volume distribution by examining its skewness to see whether it has the universality. We discover that the higher the compression factor of the system is, the smaller the skewness of the distribution is. We conclude that we need to take the distribution natural logarithm first and rescale the distribution, and then we will get a universal curve.