Tribological Properties of Nano-ZrO<sub>2</sub> and PEEK Reinforced PTFE Composites Based on Molecular Dynamics
Polytetrafluoroethylene (PTFE) is a polymeric material with excellent self-lubricating properties. In this study, in order to improve the wear resistance of PTFE, the PTFE matrix was filled with soft-phase polyetheretherketone (PEEK) particles and hard-phase nano-ZrO<sub>2</sub> particle...
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| Format: | Article |
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MDPI AG
2023-04-01
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| Series: | Lubricants |
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| Online Access: | https://www.mdpi.com/2075-4442/11/5/194 |
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| author | Yuan Qi Bugong Sun Yang Zhang Gui Gao Peng Zhang Xiaobao Zheng |
| author_facet | Yuan Qi Bugong Sun Yang Zhang Gui Gao Peng Zhang Xiaobao Zheng |
| author_sort | Yuan Qi |
| collection | DOAJ |
| description | Polytetrafluoroethylene (PTFE) is a polymeric material with excellent self-lubricating properties. In this study, in order to improve the wear resistance of PTFE, the PTFE matrix was filled with soft-phase polyetheretherketone (PEEK) particles and hard-phase nano-ZrO<sub>2</sub> particles in varying volume ratios. A linear reciprocating friction tester was used to test the tribological properties of the PTFE composites. Optical microscopy (OM) and scanning electron microscopy (SEM) were utilized to observe the formation and evolution of the transfer film on the surface of the counterpart metal during the friction process. Molecular dynamics simulation software (Materials Studio MS) was used to simulate and analyze the frictional behavior between the molecular structures of PTFE composites and the counterpart iron atoms on a microscopic scale. The results showed that the uniformity and firmness of the transfer film had an important influence on the wear resistance of the material. PEEK and ZrO<sub>2</sub> nanoparticles were able to improve the firmness and formation rate of the transfer film, respectively, resulting in significant improvement in the wear resistance of PTFE (volume wear rate reduced from 7.7 × 10<sup>−4</sup> mm<sup>3</sup>/Nm for pure PTFE to 1.76 × 10<sup>−6</sup> mm<sup>3</sup>/Nm for nano-ZrO<sub>2</sub>/PEEK/PTFE). Molecular dynamics simulations revealed that the poor wear resistance of PTFE was due to significant interlayer slippage within its molecular chains. PEEK molecular chains could effectively adsorb PTFE molecular chains and formed a strong bond. ZrO<sub>2</sub> nanoparticles also contributed to the overall stability of the PTFE matrix. Both soft and hard fillers significantly inhibited interlayer slippage between PTFE molecular chains, enhancing the shear deformation resistance of the material and thus improving the wear resistance of PTFE composites. |
| first_indexed | 2024-03-11T03:33:26Z |
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| id | doaj.art-59a873057f0d49a3a629bfdfbb82392e |
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| issn | 2075-4442 |
| language | English |
| last_indexed | 2024-03-11T03:33:26Z |
| publishDate | 2023-04-01 |
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| series | Lubricants |
| spelling | doaj.art-59a873057f0d49a3a629bfdfbb82392e2023-11-18T02:10:33ZengMDPI AGLubricants2075-44422023-04-0111519410.3390/lubricants11050194Tribological Properties of Nano-ZrO<sub>2</sub> and PEEK Reinforced PTFE Composites Based on Molecular DynamicsYuan Qi0Bugong Sun1Yang Zhang2Gui Gao3Peng Zhang4Xiaobao Zheng5Mechanical and Electronical Engineering College, Gansu Agricultural University, Lanzhou 730070, ChinaMechanical and Electronical Engineering College, Gansu Agricultural University, Lanzhou 730070, ChinaMechanical and Electronical Engineering College, Gansu Agricultural University, Lanzhou 730070, ChinaState Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000, ChinaMechanical and Electronical Engineering College, Gansu Agricultural University, Lanzhou 730070, ChinaMechanical and Electronical Engineering College, Gansu Agricultural University, Lanzhou 730070, ChinaPolytetrafluoroethylene (PTFE) is a polymeric material with excellent self-lubricating properties. In this study, in order to improve the wear resistance of PTFE, the PTFE matrix was filled with soft-phase polyetheretherketone (PEEK) particles and hard-phase nano-ZrO<sub>2</sub> particles in varying volume ratios. A linear reciprocating friction tester was used to test the tribological properties of the PTFE composites. Optical microscopy (OM) and scanning electron microscopy (SEM) were utilized to observe the formation and evolution of the transfer film on the surface of the counterpart metal during the friction process. Molecular dynamics simulation software (Materials Studio MS) was used to simulate and analyze the frictional behavior between the molecular structures of PTFE composites and the counterpart iron atoms on a microscopic scale. The results showed that the uniformity and firmness of the transfer film had an important influence on the wear resistance of the material. PEEK and ZrO<sub>2</sub> nanoparticles were able to improve the firmness and formation rate of the transfer film, respectively, resulting in significant improvement in the wear resistance of PTFE (volume wear rate reduced from 7.7 × 10<sup>−4</sup> mm<sup>3</sup>/Nm for pure PTFE to 1.76 × 10<sup>−6</sup> mm<sup>3</sup>/Nm for nano-ZrO<sub>2</sub>/PEEK/PTFE). Molecular dynamics simulations revealed that the poor wear resistance of PTFE was due to significant interlayer slippage within its molecular chains. PEEK molecular chains could effectively adsorb PTFE molecular chains and formed a strong bond. ZrO<sub>2</sub> nanoparticles also contributed to the overall stability of the PTFE matrix. Both soft and hard fillers significantly inhibited interlayer slippage between PTFE molecular chains, enhancing the shear deformation resistance of the material and thus improving the wear resistance of PTFE composites.https://www.mdpi.com/2075-4442/11/5/194tribologytransfer filmmolecular dynamicsPTFEPEEKZrO<sub>2</sub> nanoparticles |
| spellingShingle | Yuan Qi Bugong Sun Yang Zhang Gui Gao Peng Zhang Xiaobao Zheng Tribological Properties of Nano-ZrO<sub>2</sub> and PEEK Reinforced PTFE Composites Based on Molecular Dynamics Lubricants tribology transfer film molecular dynamics PTFE PEEK ZrO<sub>2</sub> nanoparticles |
| title | Tribological Properties of Nano-ZrO<sub>2</sub> and PEEK Reinforced PTFE Composites Based on Molecular Dynamics |
| title_full | Tribological Properties of Nano-ZrO<sub>2</sub> and PEEK Reinforced PTFE Composites Based on Molecular Dynamics |
| title_fullStr | Tribological Properties of Nano-ZrO<sub>2</sub> and PEEK Reinforced PTFE Composites Based on Molecular Dynamics |
| title_full_unstemmed | Tribological Properties of Nano-ZrO<sub>2</sub> and PEEK Reinforced PTFE Composites Based on Molecular Dynamics |
| title_short | Tribological Properties of Nano-ZrO<sub>2</sub> and PEEK Reinforced PTFE Composites Based on Molecular Dynamics |
| title_sort | tribological properties of nano zro sub 2 sub and peek reinforced ptfe composites based on molecular dynamics |
| topic | tribology transfer film molecular dynamics PTFE PEEK ZrO<sub>2</sub> nanoparticles |
| url | https://www.mdpi.com/2075-4442/11/5/194 |
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