取向碳纳米管增强聚碳酸酯摩擦性能的分子动力学模拟  

Molecular Dynamics Simulation of Friction Properties of Polycarbonate Enhanced by Oriented Carbon Nanotubes

作　　者：卢宏荣 辛勇[1] Hongrong Lu;Yong Xin(School of Mechanical and Electrical Engineering,Nanchang University,Nanchang 330031,China)

机构地区：[1]南昌大学机电工程学院,江西南昌330031

出　　处：《高分子材料科学与工程》2021年第7期139-145,共7页Polymer Materials Science & Engineering

基　　金：国家自然科学基金资助项目(51365038)。

摘　　要：采用分子动力学(MD)模拟方法研究了不同取向的单壁碳纳米管(SWNTs)对SWNT/聚碳酸酯(PC)复合材料摩擦性能的影响。在笛卡尔坐标系下,沿X方向分别对纯PC基体、X取向SWNT(X-SWNT)/PC复合材料、Y取向SWNT(Y-SWNT)/PC复合材料和Z取向SWNT(Z-SWNT)/PC复合材料施加摩擦。结果表明,与纯PC基体相比,X-SWNT/PC复合材料、Y-SWNT/PC复合材料、Z-SWNT/PC复合材料的磨损率分别降低了31.28%,22.38%,10.56%,摩擦系数分别下降了31.71%,21.95%,9.76%。分析PC分子链与SWNT的空间分布以及相互作用发现,PC分子链能够吸附在SWNT表面,并沿其轴向伸展;PC分子链与SWNT之间的吸附作用主要为范德华(VDW)相互作用;SWNT与PC基体的界面稳定性是影响SWNT/PC复合材料摩擦性能的重要因素。The effects of single-walled carbon nanotubes(SWNTs)with different orientations on the frictional properties of SWNT/polycarbonate(PC)composites were studied by molecular dynamics(MD)simulation method.In the Cartesian coordinate system,friction was applied to pure PC matrix,X-oriented SWNT(X-SWNT)/PC composites,Y-oriented SWNT(Y-SWNT)/PC composites and Z-oriented SWNT(Z-SWNT)/PC composites respectively in the X-direction.The results show that compared with the pure PC matrix,the wear rate of X-SWNT/PC composites,Y-SWNT/PC composites and Z-SWNT/PC composites is decreased by 31.28%,22.38%,and 10.56%respectively,and the friction coefficient is decreased by 31.71%,21.95%,and 9.76%respectively.The spatial distribution and interaction between PC molecular chains and SWNT were analyzed.It is found that PC molecular chains could adsorb on the surface of SWNT and extend along the axis of SWNT.The adsorption between PC molecular chains and SWNT is mainly based on van der Waals(VDW)interaction.The interfacial stability of SWNT and PC matrix is an important factor affecting the friction performance of SWNT/PC composites.

关 键 词：分子动力学 复合材料 磨损率 摩擦系数 

分 类 号：TB332[一般工业技术—材料科学与工程]