PEEK填充PTFE摩擦学性能的分子动力学模拟分析  

Simulation Analysis on Friction Performances of Polyetheretherketone Reinforced Polytetrafluoroethylene

作　　者：王妍 汤赫男[1] 赵晶[1] 王世杰[1] 张潜 WANG Yan;TANG Henan;ZHAO Jing;WANG Shijie;ZHANG Qian(School of Mechanical Engineering,Shenyang University of Technology,Shenyang Liaoning 110870,China)

机构地区：[1]沈阳工业大学机械工程学院,辽宁沈阳110870

出　　处：《润滑与密封》2024年第8期44-49,共6页Lubrication Engineering

基　　金：辽宁省教育厅基本科研项目(面上项目)(LJKMZ20220458)。

摘　　要：采用分子动力学的模拟研究方法,建立不同质量比的聚醚醚酮(PEEK)填充聚四氟乙烯(PTFE)复合材料的无定型模型(PEEK质量分数分别为5%、10%、15%、20%),对模型进行几何优化和动力学优化,并构建PEEK/PTFE复合材料与Fe摩擦副对摩模型。模拟分析结果显示:质量分数10%PEEK填充的PEEK/PTFE复合材料的耐磨特性最佳,其磨损率与PTFE材料相比降低了26.44%,且减摩特性保持良好。通过分析摩擦界面处的结合能可以得出,在纯PTFE基材中加入PEEK可有效降低摩擦界面处的结合能,降低PTFE与对偶面的相互作用,从而降低磨损。通过分析摩擦界面处的原子含量、径向分布函数以及自由体积分数可以得出,质量分数为10%的PEEK/PTFE复合材料的PEEK和PTFE分子链分布更加均匀;然而PEEK质量分数过高时,晶胞内易出现不均匀变形和应力集中现象,使得PTFE分子在摩擦过程中更易出现脱落现象,耐磨性降低。研究结果从原子尺度揭示了PEEK对PTFE材料摩擦学性能的作用机制,从微观视域揭示了PEEK填充PTFE的增强机制,为研发新型PTFE基复合材料提供理论参考。Based on molecular dynamics simulation methods,the amorphous models of PEEK filled PTFE composites with different mass ratios(PEEK mass fraction is 5%,10%,15%,20%),was established,the friction pair model of PEEK/PTFE composite and iron was established.The results show that PEEK/PTFE composites with 10%mass fraction of PEEK have the best wear resistance,and the wear rate is decreased by 26.44%compared with PTFE material.It can be concluded that the binding energy at the friction interface is effectively reduced,thereby the wear rate is reduced by adding PEEK to the pure PTFE through analyzing the binding energy at the friction interface.By analyzing the atomic concentration,radial distribution function,and free volume fraction at the friction interface,it can be concluded that the distribution of PEEK and PTFE molecular chains in the 10%PEEK/PTFE composites is more uniform.However,when the PEEK mass fraction is too high,uneven deformation and stress concentration are prone to occur within the crystal cell,and the PTFE molecules are more prone to detachment during friction so as to reduce the wear resistance.The research results reveal the mechanism of PEEK on the tribological properties of PTFE materials at the atomic scale,and reveal the strengthening mechanism of PEEK filled PTFE from the microscopic view,which provides theoretical reference for the development of new PTFE composites.

关 键 词：聚四氟乙烯 聚醚醚酮 分子动力学 复合材料 摩擦学性能 

分 类 号：TH117.1[机械工程—机械设计及理论]