Molecular dynamics study of two- and three-dimensional classical fluids using double Yukawa potential

被引:2
作者
Pathania, Y [1 ]
Ahluwalia, PK [1 ]
机构
[1] Himachal Pradesh Univ, Dept Phys, Shimla 171005, Himachal Prades, India
来源
PRAMANA-JOURNAL OF PHYSICS | 2005年 / 65卷 / 03期
关键词
molecular dynamics; radial distribution function; velocity autocorrelation function; mean square displacement; diffusion coefficient;
D O I
10.1007/BF02704203
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We have carried out a molecular dynamics simulation of two- and three-dimensional double Yukawa fluids near the triple point. We have compared some of the static and dynamic correlation functions with those of Lennard-Jones, when parameters occurring in double Yukawa potential are chosen to fit Lennard-Jones potential. The results axe in good agreement. However, when repulsive and attractive parameters occurring in double Yukawa potential are varied, we found distinct differences in static and dynamic correlation functions. We have also compared the two-dimensional correlation functions with those of three-dimensional to study the effect of dimensionality, near the triple point region.
引用
收藏
页码:457 / 468
页数:12
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