Mechanical and tribological properties of polytetrafluoroethylene reinforced by nano-ZrO<sub>2</sub>: Molecular dynamic simulation-Reference-Cited by-同舟云学术

Mechanical and tribological properties of polytetrafluoroethylene reinforced by nano-ZrO₂: Molecular dynamic simulation

Published:2022-01-29 Issue:4 Volume:34 Page:397-405
ISSN:0954-0083
Container-title:High Performance Polymers
language:en
Short-container-title:High Performance Polymers

Author:

Xu Mingkun¹²³,Wang Tingmei¹²,Wang Qihua¹²³,Zhang Xinrui¹,Tao Liming¹,Li Song¹^ORCID

Affiliation:

1. Key Laboratory of Science and Technology on Wear and Protection of Materials, Chinese Academy of Science, Lanzhou Institute of Chemical Physics, Lanzhou, China

2. Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing, China

3. State Key Laboratory of Solid Lubrication, Chinese Academy of Sciences, Lanzhou Institute of Chemical Physics, Lanzhou, China

Abstract

The mechanism of enhancing the mechanical and tribological properties of polytetrafluoroethylene (PTFE) via the addition of nano-ZrO2 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/ZrO2 were 1.42 GPa and 6.43 GPa, respectively. The average friction coefficients of PTFE and PTFE/ZrO2 were 0.168 and 0.113, respectively. Compared to PTFE, the friction coefficient of PTFE/ZrO2 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.

Funder

Key Research Program of Frontier Science, Chinese Academy of Sciences

The Youth Innovation Promotion Association of Chinese Academy of Sciences

The Key Research Program of the Chinese Academy of Sciences

Publisher

SAGE Publications

Subject

Materials Chemistry,Organic Chemistry,Polymers and Plastics

Link

http://journals.sagepub.com/doi/pdf/10.1177/09540083211072740

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1. A novel phosphorous and silicon-containing benzoxazine: highly efficient multifunctional flame-retardant synergist for polyoxymethylene