Molecular Dynamics Simulation on the Tribological Properties of the Carbon Nitride Reinforced PTFE

被引：0
|
作者：
Lei H. [1 ]
Zhao G. [1 ,2 ]
Yin Y. [1 ]
Ding Q. [1 ]
Shi Y. [1 ]
机构：
[1] School of Aeronautics, Nanjing University of Aeronautics and Astronautics, Nanjing
[2] State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Science, Lanzhou
来源：
Mocaxue Xuebao/Tribology | 2021年 / 41卷 / 02期
基金：
中国国家自然科学基金;
关键词：
Carbon nitride; Friction; Molecular dynamics simulation; PTFE; Wear;
D O I：
10.16078/j.tribology.2020136
中图分类号：
学科分类号：
摘要：
This paper studied the effect of carbon nitride (C3N4) on the mechanical and tribological properties of polytetrafluoroethylene (PTFE) by molecular dynamics simulation. Firstly, the amorphous models of pure PTFE and C3N4/PTFE composites were established and the mechanical properties were calculated after structural optimization. The simulated results showed that the Young's modulus and shear modulus of the PTFE were increased by 218% and 141% after C3N4 reinforcement, respectively. Secondly, the friction model of PTFE composites sliding against copper was established and simulated under certain load and speed in order to investigate the friction and wear behavior. The simulated results showed that the friction coefficient of pure PTFE was 0.14 and its wear rate was 27.6%, while the friction coefficient of C3N4/PTFE composite decreased to 0.11 without obvious wear. Finally, the interaction mechanisms between PTFE composites and copper were revealed by analyzing the variations of relative atomic concentration, atomic velocity, interface temperature, radial distribution function, and binding energy. Copyright ©2021 Tribology. All rights reserved.
引用
收藏
页码：223 / 229
页数：6
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