系列势阱深度下二元Lennard-Jones液体的径向分布函数  

Radial Distribution Function of Binary Lennard-Jones Liquids with a Series of PotentialWell Depths

作　　者：张文惠 林佳玮 权国强 文雪 赵兴宇 Zhang Wenhui;Lin Jiawei;Quan Guoqiang;Wen Xue;Zhao Xingyu(Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matters,College of Physical Science and Technology,Yili Normal University,Yining,Xinjiang 835000,China)

机构地区：[1]伊犁师范大学物理科学与技术学院,新疆凝聚态相变与微结构实验室,新疆伊宁835000

出　　处：《伊犁师范大学学报（自然科学版）》2023年第4期28-35,共8页Journal of Yili Normal University：Natural Science Edition

基　　金：新疆维吾尔自治区自然科学基金项目(2021D01C465);伊犁师范大学提升学科综合实力专项项目(22XKZY27);伊犁师范大学大学生创新创业训练计划项目(XX20210764015).

摘　　要：径向分布函数是一个描述液体和非晶体结构的重要物理量,运用分子动力学模拟方法对二元Lennard-Jones液体在系列势阱深度下的径向分布函数进行了研究.结果表明,随着两类原子势阱深度比值k的增大,所有原子的总的径向分布函数的第一峰值、第一谷值以及第二峰值基本不变;但是同类原子的径向分布函数和异类原子径向分布函数的特征却随k出现了变化,并表现出不同于一般径向分布函数特征的情况.最后,结合体系的瞬态图像,对径向分布函数的变化原因进行了解释.The radial distribution function is an important physical quantity to describe structures of liquids and amorphous materials.In this paper,the radial distribution functions of the binary Lennard-Jones liquids with a series of potential well depths are simulated by molecular dynamics method.The results show that the values of first peak,first valley and second peak of the total radial distribution function of all atoms are basically invariant with the ratio of potential well depths of two kinds of atoms,but the radial distribution function characteristics of homogeneous atoms and heterogeneous atoms obviously change with,different from those of the general radial distribution functions.Finally,the reasons for the change of radial distribution functions are analyzed combined with transient images of the systems.

关 键 词：径向分布函数 二元液体 LENNARD-JONES 分子动力学 

分 类 号：O469[理学—凝聚态物理]