东南大学学报（自然科学版）2017，Vol.47Issue(1)：28-32,5.DOI:10.3969/j.issn.1001-0505.2017.01.006
石墨烯的摩擦力和刚度关系的分子动力学模拟
Molecular dynamics simulations of stiffness-dependent friction of graphene
摘要
Abstract
Based on molecular dynamics simulations,a supported multilayer graphene friction model was constructed.First,the statistics on the friction coefficient of graphene with different layers under normal loads was carried out,and the relationship between the friction and layer numbers was ob-tained.Then the contributions of van der Waals force of the tip and the elastic deformation on the top layer of the multilayer graphene substrate on the friction force were analyzed.Finally,it was demonstrated that the effects on normal deformation energy and surface compliance were directly re-lated to the observed friction force,and the contributions of surface energy barrier height and normal stiffness on the friction were quantitatively analyzed .The results indicate that under different loads the friction coefficient of 3 layers is 36%higher than that of 1 layer,and 40%higher than that of 2 layers;all friction forces are greater than van der Waals forces and the difference value between them becomes larger with the numbers of layers increasing;when the normal load is constant,the elastic energy of 3 layers is about 1 .5 times as much as that of 2 layers and threefold of that of 1 layer,that is,the elastic energy of each layer has equal contribution to the friction due to the stiffness between layers is in series,the friction of graphene is caused by the competition between the stiffnesses of normal deformation energy and surface compliance.关键词
分子动力学模拟/石墨烯/势垒高度/法向刚度Key words
molecular dynamics simulations/graphene/energy barrier/surface compliance分类
数理科学引用本文复制引用
董赟,刘晨晗,段早琦,Gueye Birahima,陶毅,张艳,陈云飞..石墨烯的摩擦力和刚度关系的分子动力学模拟[J].东南大学学报（自然科学版）,2017,47(1):28-32,5.基金项目
国家自然科学基金资助项目（51665030，51435003，51575104）． （）
