碳纳米管手性影响丁腈橡胶性能的分子动力学模拟  

Molecular Dynamics Simulation of Carbon Nanotube Chirality Affecting Properties of Nitrile Rubber

作　　者：汤薪成 赵晶[1] 王世杰[1] 崔剑征 TANG Xin-cheng;ZHAO Jing;WANG Shi-jie;CUI Jian-zheng(School of Mechanical Engineering,Shenyang University of Technology,Shenyang 110870,China;Department of Astronautics Science and Mechanics,School of Astronautics,Harbin Institute of Technology,Harbin 150001,China)

机构地区：[1]沈阳工业大学机械工程学院,辽宁沈阳110870 [2]哈尔滨工业大学航天学院航天科学与力学系,黑龙江哈尔滨150001

出　　处：《机械工程与自动化》2022年第4期9-11,16,共4页Mechanical Engineering & Automation

基　　金：辽宁省“揭榜挂帅”科技攻关计划项目(2021JH1/10400084)。

摘　　要：采用分子动力学模拟的方法,分别建立手性指数为(5,5)、(6,4)、(9,0)的3种碳纳米管/丁腈橡胶(CNTs/NBR)复合材料模型,通过恒应力法和剪切行为模拟方法,研究了CNTs手性指数对NBR基体力学性能和摩擦学性能的影响。研究结果表明:手性指数为(6,4)的螺旋型CNTs/NBR复合材料具有更高的弹性模量和拉伸强度,更低的磨损量、摩擦因数、界面摩擦温度,抵抗弹性变形能力和耐磨性能更佳。Three models of carbon nanotube/nitrile butadiene rubber(CNTs/NBR)composites with chirality indices of(5,5),(6,4),and(9,0)were established by molecular dynamics simulation.The effects of CNTs chirality index on the mechanical and tribological properties of NBR matrix were investigated by constant stress method and shear behavior simulation method.The research results show that the helical CNTs/NBR composite with a chiral index of(6,4)has higher elastic modulus and tensile strength,lower wear amount,friction factor,interface friction temperature,and better resistance to elastic deformation and better wear resistance.

关 键 词：碳纳米管 手性指数 丁腈橡胶 分子动力学模拟 

分 类 号：TB332[一般工业技术—材料科学与工程]