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纳米ZrO2增强PEEK/PTFE复合材料摩擦行为分子动力学模拟
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辽宁省教育厅基本科研项目(面上项目)(LJKMZ20220458)


Molecular Dynamics Simulation of Friction Behavior of Nano-ZrO2 Reinforced PEEK/PTFE Composites
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    摘要:

    为了从微观结构探究和揭示纳米二氧化锆(ZrO2)对聚醚醚酮(PEEK)/聚四氟乙烯(PTFE)复合材料摩擦行为的影响,在10%PEEK/PTFE复合材料中,分别添加质量分数4%、6%、8%、10%的纳米ZrO2,制备4种纳米ZrO2填充PEEK/PTFE复合材料,并基于分子动力学(MD)方法构建4种复合材料与铁对摩的摩擦模型。结果表明:适量纳米ZrO2可增强PEEK/PTFE复合材料分子链抵抗剪切变形的能力,在聚合物分子链之间形成较强的范德华力,改善了PEEK/PTFE复合材料摩擦性能;纳米ZrO2在摩擦过程中能有效抑制层间滑移现象,在复合材料中起到吸附聚合物分子链的作用,增强了原子间相互作用,阻碍摩擦过程分子链内部滑移;其中质量分数6%纳米ZrO2填充的复合材料摩擦性能最佳。

    Abstract:

    In order to explore and reveal the effect of nanometre zirconium dioxide (ZrO2) on the friction behavior of polyetheretherketone (PEEK)/polytetrafluoroethylene (PTFE) composites from the microstructure,four kinds of nano-ZrO2 filled PEEK/PTFE composites were prepared by adding mass fraction 4%,6%,8%,and 10% nano-ZrO2 to 10% PEEK/PTFE composite materials,respectively.Based on the molecular dynamics (MD) method,the friction models of PEEK/PTFE composites with different mass fractions of nano-ZrO2 sliding against iron were constructed.The results show that an appropriate amount of nano-ZrO2 can enhance the shear deformation resistance of PEEK/PTFE composite molecular chains,form strong van der Waals force between polymer molecular chains,and improve the friction properties of PEEK/PTFE composites.Nano-ZrO2 can effectively inhibit interlayer slip during friction,play a role in adsorbing polymer molecular chains in composites,so as to enhance interatomic interactions,and hinder internal slip of molecular chains during friction.The composites with mass fraction 6% nano-ZrO2 show the best friction performance.

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党亚朋,汤赫男,王明辉,刘林.纳米ZrO2增强PEEK/PTFE复合材料摩擦行为分子动力学模拟[J].润滑与密封,2024,49(9):59-63.
DANG Yapeng, TANG Henan, WANG Minghui, LIU Lin. Molecular Dynamics Simulation of Friction Behavior of Nano-ZrO2 Reinforced PEEK/PTFE Composites[J]. Lubrication Engineering,2024,49(9):59-63.

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  • 在线发布日期: 2024-09-26
  • 出版日期: 2024-09-15