在LJ 2n-n系統內結構次序之量化

Abstract

為了用更客觀的方法來描述物質結構，必須發展可以量化表示在影像上資訊的數學形式。我們使用orientational order parameter和translational order parameter以及local orientational order parameter用來辨別Lennard-Jones 2n-n系統裡在不同密度的結構次序。Orientational order parameter和translational order parameter可以探討整體性結構次序，且可利用order map更清楚的表示系統在不同狀態的結構次序。而local orientational order parameter 可探討區域性結構次序。

To describe a material in a more objective manner, one must develop a formalism to express quantitatively the information contained in the images . We conduct a numerical investigation of structural order in the Lennard-Jones 2n-n systems at various density by calculating translational order parameter, orientational order parameter and local orientational order parameter. We identify global structure order by calculating orientational order parameter and translational order parameter. Simulation results are analyzed using an order map representation. We identify local structure order by calculating local orientational order parameter.