Mechanical and tribological properties of polytetrafluoroethylene reinforced by nano-ZrO 2 : Molecular dynamic simulation

The mechanism of enhancing the mechanical and tribological properties of polytetrafluoroethylene (PTFE) via the addition of nano-ZrO 2 was investigated by virtue of molecular dynamic (MD) simulation from an atomic level. The MD was used to explore stretch and break of molecular chains for understand...

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Published in:High performance polymers 2022-05, Vol.34 (4), p.397-405
Main Authors: Xu, Mingkun, Wang, Tingmei, Wang, Qihua, Zhang, Xinrui, Tao, Liming, Li, Song
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Language:English
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container_end_page 405
container_issue 4
container_start_page 397
container_title High performance polymers
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creator Xu, Mingkun
Wang, Tingmei
Wang, Qihua
Zhang, Xinrui
Tao, Liming
Li, Song
description The mechanism of enhancing the mechanical and tribological properties of polytetrafluoroethylene (PTFE) via the addition of nano-ZrO 2 was investigated by virtue of molecular dynamic (MD) simulation from an atomic level. The MD was used to explore stretch and break of molecular chains for understanding the inherent mechanism of nanocomposites. The results found that elastic modulus of PTFE and PTFE/ZrO 2 were 1.42 GPa and 6.43 GPa, respectively. The average friction coefficients of PTFE and PTFE/ZrO 2 were 0.168 and 0.113, respectively. Compared to PTFE, the friction coefficient of PTFE/ZrO 2 decreased by 32.7%. To explore the microscopic friction mechanism, the radial distribution function, atomic concentration, and atomic velocity were simulated and interpreted accordingly during the tribological process.
doi_str_mv 10.1177/09540083211072740
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