物理学报2012，Vol.61Issue(2)：516-523,8.
有机分子超薄膜的结构对摩擦的影响
The influence of the structure of the organic ultra-film on friction
摘要
Abstract
Molecular dynamics simulation is used to study the friction of mixed Langmuir-Blodgett film composed of hydrocarboxylic acid（C_nH_（2n＋1）COOH,n = 12,13,14,15,16,17） and the C_（17）H_（31）COOH,in order to investigate the influence of the structure on friction.The results show that the restiction of long chain molecules by the neighbor molecules increases and the monolayers become more steady as n increases,while the shear pressure between the monolayers decreases and reaches a minimum when n = 17.The hydrogen-bond formed in the mixed monolayers is the main reason why the monolayers become more steady,espatially,the hydrogenbonds are most steady when n = 16,but the monolayer composed that just of C_（17）H_（31）COOH molecules has the best sliding effect; there is no hydrogen-bond between the two monolayers.The shear pressure is hardly affected by the molecular deformation.关键词
分子动力学模拟/纳米摩擦/结构/氢键Key words
molecular dynamic simulation/nano-tribology/structure/hydrogen bond分类
化学化工引用本文复制引用
张兆慧,韩奎,曹娟,王帆,杨丽娟..有机分子超薄膜的结构对摩擦的影响[J].物理学报,2012,61(2):516-523,8.基金项目
中央高校基本科研业务费专项资金 （）
宿迁学院科技基金（批准号：2010KY43）资助的课题~~ （）
