Abstract
During the friction process, the polytetrafluoroethylene (PTFE) adhered on the counterpart surface was known as the PTFE transfer film, which was fundamental to the lubricating performance of the PTFE. However, the adhesive interaction between the iron surface and the adhered PTFE transfer film is still unclear. In present study, molecular dynamics simulations were used to reveal the adhesive interaction between the iron surface and PTFE transfer film. Based on the atomic trajectories obtained through the molecular dynamics, the interaction energy, concentration profile, radial distribution function, and mean square displacement were calculated to analyze the structure of the interface. The negative values of the interaction energy demonstrated the adhesive interaction between the PTFE transfer film and Fe surfaces, resulting in the accumulation of the PTFE transfer film on the Fe surface. Among the (100) (110), and (111) surfaces of α-Fe (110) surface owns the strongest adhesive interaction with the PTFE transfer film. Compared with the original PTFE molecule, the chain broken PTFE, hydroxyl substituted PTFE, and carbonyl substituted PTFE exhibited stronger adhesive interaction with Fe surface. The adhesive interaction between the PTFE transfer film and Fe surfaces was mainly originated from the Fe atoms and the F atoms of the adsorbate PTFE transfer film, which was governed by the van der Waals force. The bonding distance between the Fe atom and the F atom of the adsorbate PTFE transfer film is around 2.8 Å. Moreover, the chain broken of PTFE molecule and the rise of temperature can remarkably increase the mobility of polymer chains in the interface system.
Highlights
Multifarious polymers are widely used in the field of self-lubricating
This study aims to illustrate the adhesive interaction between the iron surface and the adsorbate PTFE transfer film
Based on the atomic trajectories obtained through the molecular dynamics, the interaction energy, concentration profile, radial distribution function, and mean square displacement were calculated to analyze the structure of the interface
Summary
Multifarious polymers are widely used in the field of self-lubricating. As one of the famous selflubricating polymers, polytetrafluoroethylene (PTFE) owns the low coefficient of friction originated from the PTFE transfer film (Yeo and Polycarpou, 2014; Zhang et al, 2009; Zuo et al, 2015a), which is defined as the polymer molecules transferred onto the metal counterpart surface during the friction process. The investigation on the formation of PTFE transfer film can be helpful to reveal the self-lubricating mechanism of PTFE. The component of composites and the morphology of PTFE. Adhesion of PTFE Transfer Film transfer film has direct impacts on the tribological performances of PTFE composites. Researchers found that certain fillers can enhance the antiwear property of PTFE, and be more conducive to the formation of PTFE transfer film (Wang and Yan, 2006; Bahadur, 2000; Friedrich et al, 2005; Unal et al, 2004). The PTFE transfer film with the thin and uniform morphology exhibited better antifriction property than that of the thick and uneven morphology (Xie et al, 2010; Ye et al, 2013)
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
