C_(60)/十八烷酸Langmuir-Blodgett膜滑动摩擦机制的分子动力学模拟  

Molecular dynamics simulations of the sliding behavior of C_(60)/Stearic acid Langmuir-Blodgett films

作　　者：张兆慧[1] 韩奎[2] 白磊[2] 李海鹏[2] 李明雪[2] 唐刚[2] 

机构地区：[1]江苏省宿迁学院基础部,宿迁223800 [2]中国矿业大学理学院,徐州221008

出　　处：《四川大学学报（自然科学版）》2009年第4期1065-1070,共6页Journal of Sichuan University(Natural Science Edition)

基　　金：国家自然科学基金(10674177);中国矿业大学科技基金(2006B025)

摘　　要：采用分子动力学方法模拟研究了 C_(60)/十八烷酸 Langmuir-Blodgett(LB)单层膜混合系统的滑动摩擦行为.模拟结果显示:与纯的十八烷酸单层 LB 膜系统相比,含有 C_(60)分子的混合系统具有更低的剪切压.分析结果表明,在滑动过程中,C_(60)分子被局域在由长链分子形成的空穴里,并且在整个滑动过程中发生滚动振荡行为;系统间的摩擦力主要来自于 C_(60)分子与十八烷酸单层膜之间的作用力,而十八烷酸单层膜与十八烷酸单层膜之间的作用力很微弱.The molecular dynamics simulations have been used to simulate the sliding friction behavior of C60/Stearic acid Langmuir-Blodgett monolayer. The results show that, compared with the pure Stearic acid Langmuir-Blodgett monolayers systems, the mixed systems have lower shear pressure. The results also show that, during the sliding progress, the C60 molecules were keeping rolling and oscillating in the hole that formed by the Stearic acid long chain molecules;the friction force main come from the interaction between the C60 molecules and the monolayers, there were hardly interaction between the two Stearic acid monolayers.

关 键 词：分子动力学模拟 朗缪尔布洛杰特膜 摩擦 富勒烯(C60) 

分 类 号：O562[理学—原子与分子物理]