摘要
本文应用分子动力学模拟方法进行了汽液界面厚度和分维数的模拟研究。用统计系综方法，以氩原子为对象，对长方形模拟盒中粒子数目为2048个的汽液平衡共存系统进行模拟计算。研究了一定条件下汽液界面厚度的取定对确定界面分维数的影响，根据计算模拟结果，提出了可用15～85法则确定界面厚度和分维数。汽液界面在X方向、Y方向和Z方向具有不同的分维数，充分说明了汽液界面的各性异性性质。
The thickness and fractional dimension number of the liquid-vapor interface are simulated by selecting Argon as working substance and using Lennard-Jones potential in the rectangle simulation box under the condition of 2048 simulated particles in the NVT canonical. It is shown that the different choice of thickness of liquid-vapor interface will affect determination of fractional dimension number of the liquid-vapor interface. According to calculating results, the rule of 15~85 is presented to determine the thickness and fractional dimension number of the liquid-vapor interface. The fractional dimension numbers in the X, Y and Z direction of the liquid-vapor interface are different. This proves that the liquid-vapor interface has anisotropic character.
出处
《工程热物理学报》
EI
CAS
CSCD
北大核心
2004年第4期562-564,共3页
Journal of Engineering Thermophysics
基金
国家自然科学基金资助项目(No.50276071
No.50376077)
教育部留学回国人员科研启动基金资助项目(No.2002-247)
重庆市科委应用基础研究资助项目(No.2002-16-38)
关键词
分子动力学模拟
汽液平衡
分维数
界面厚度
molecular dynamics simulation
liquid-vapor interface
fractional dimension number
thickness of interface
