Abstract
The synergistic analysis of friction properties of carbon nanotube (CNT)-reinforced polymers at the nanoscale and macroscale can help to obtain the intrinsic mechanism of carbon nanotubes to reduce the friction coefficient of polymers, which is important to guide the modification of polymer friction properties. However, the huge gap in spatial scales makes it difficult for molecular dynamics (MD) simulations at the nanoscale to predict the friction coefficient of virtual contact interfaces, and conducting a large number of macroscopic experiments to obtain natural frictional laws could be more efficient. This study proposes a multi-scale model to investigate the frictional behavior of copper (Cu)-CNT/polytetrafluoroethylene (PTFE). By using the micromechanics Mori–Tanaka homogenization method as a bridge, the nanoscale simulations of the CNT/PTFE elasticity and frictional behavior and the macroscopic finite element simulation of the Cu ring-CNT/PTFE block contact are coupled, thus integrating the nanoscale frictional laws of Cu-CNT/PTFE obtained from molecular dynamics simulations into the actual contact interface. The results of multi-scale friction simulations show that the filling of CNTs can effectively improve the elastic and frictional properties of the PTFE matrix, and the degree of improvement is related to the orientation and mass fraction of the CNTs. Under a mean contact pressure of 0.5 MPa and a rotating speed of 30 rpm, the friction coefficient continuously decreases (from 0.198 to 0.156) with increasing CNTs mass fraction (0%, 1.25%, 2.5%, 5%). The simulation results were verified by copper ring-CNT/PTFE block friction experiments.
Graphical Abstract
Similar content being viewed by others
Data Availability
The data that support the findings of this study are available from the corresponding author, [Ce Liang], upon reasonable request.
References
Gayathri, N., Shanmuganathan, V.K., Joyson, A., Aakash, M., Godwin Joseph, A.: Mechanical properties investigation on natural fiber reinforced epoxy polymer composite. Mater. Today Proc. 72, 2574–2580 (2023). https://doi.org/10.1016/j.matpr.2022.10.121
Handoul, K.A., Taher, A.A.: Enhancement mechanical properties of polymers reinforcing by nano graphene. Mater. Sci. Forum. 1077, 99–106 (2022). https://doi.org/10.4028/p-93k88e
Namathoti, S., Vakkalagadda, M.R.K.: Development of multiwalled carbon nanotubes/halloysite nanotubes reinforced thermal responsive shape memory polymer nanocomposites for enhanced mechanical and shape recovery characteristics in 4D printing applications. Polymers 15, 1371 (2023). https://doi.org/10.3390/polym15061371
George, J., Jung, D., Bhattacharyya, D.: Improvement of electrical and mechanical properties of PLA/PBAT composites using coconut shell biochar for antistatic applications. Appl. Sci. 13, 902 (2023). https://doi.org/10.3390/app13020902
Huo, Y., Lin, C., Ge, H., Ying, P., Huang, M., Zhang, P., Yang, T., Wang, T., Wu, J., Yan, Y., Levchenko, V.: Polyurethane/MoS2 composites: gas barrier, hygrothermal aging and recycling. J. Polym. Res. 30, 38 (2023). https://doi.org/10.1007/s10965-022-03418-3
Chen, Y., Zhang, J., Wang, L., Tian, Q., Wu, J., Li, P., Chen, A., Huang, S., Lei, C.: Tribological behavior of carbon-fiber-reinforced polymer with highly oriented graphite nanoplatelets. Tribol. Int. 186, 108577 (2023). https://doi.org/10.1016/j.triboint.2023.108577
Atta, A.M., Behiry, R.N., Haraz, M.I.: Upgrading the hanger resistance of RC inverted T-girders using externally bonded carbon fiber reinforced polymers (EB-CFRP). Structures 53, 1557–1581 (2023). https://doi.org/10.1016/j.istruc.2023.05.029
Naito, K., Nakamura, M., Matsuoka, T.: Friction and wear properties of polyacrylonitrile- and pitch-based carbon fiber-reinforced polymer matrix composites containing silicon carbide nanoparticles. Polym. Compos. 44, 2405–2416 (2023). https://doi.org/10.1002/pc.27252
Iijima, S.: Helical microtubules of graphitic carbon. Nature 354, 56–58 (1991). https://doi.org/10.1038/354056a0
Ruoff, R.S., Lorents, D.C.: Mechanical and thermal properties of carbon nanotubes. Carbon 33, 925–930 (1995). https://doi.org/10.1016/0008-6223(95)00021-5
Makowiec, M.E., Blanchet, T.A.: Improved wear resistance of nanotube- and other carbon-filled PTFE composites. Wear 374–375, 77–85 (2017). https://doi.org/10.1016/j.wear.2016.12.027
Aili, Z.: Dongsheng, Li: Effect of Carbon Nanotube on the Oscillating Wear Behaviour of Metal-PTFE Multilayer Composites. J. Wuhan Univ. Technol. Materscied. (2018). https://doi.org/10.1007/s11595-018-1962-1
Chen, W.X., Li, F., Han, G., Xia, J.B., Wang, L.Y., Tu, J.P., Xu, Z.D.: Tribological behavior of carbon-nanotube-filled PTFE composites. Tribol. Lett. 15, 275–278 (2003). https://doi.org/10.1023/A:1024869305259
Vail, J.R., Burris, D.L., Sawyer, W.G.: Multifunctionality of single-walled carbon nanotube–polytetrafluoroethylene nanocomposites. Wear 267, 619–624 (2009). https://doi.org/10.1016/j.wear.2008.12.117
Cui, Y., Li, C., Li, Z., Yao, X., Hao, W., Xing, S., Xie, Y., Meng, X., Wan, L., Huang, Y.: Deformation-driven processing of CNTs/PEEK composites towards wear and tribology applications. Coatings 12, 983 (2022). https://doi.org/10.3390/coatings12070983
Li, M.X., Deng, X.Q., Guo, P.K., Xu, P., Tian, H.Y.: Tribological properties and mechanism of carbon nanotubes in grease. Lubr. Eng. 44, 120–126 (2019). https://doi.org/10.3969/j.issn.0254-0150,2019.04.020
Yan, S., Xue, Y.: Surface wettability, tensile mechanical performance, and tribological behavior of polyimide/polytetrafluoroethylene blends enhanced with hydroxylated multiwalled carbon nanotubes at high relative humidity. Polym. Compos. 42, 4517–4532 (2021). https://doi.org/10.1002/pc.26165
Goriparthi, B.K., Naveen, P.N.E., Ravi Sankar, H., Ghosh, S.: Effect of functionalization and concentration of carbon nanotubes on mechanical, wear and fatigue behaviours of polyoxymethylene/carbon nanotube nanocomposites. Bull. Mater. Sci. 42, 98 (2019). https://doi.org/10.1007/s12034-019-1746-z
Cheng, H., Cheng, X.: Mechanical and tribological behavior of polytetrafluoroethylene composites reinforced by carbon nanotubes and poly- p -oxybenzoate. High Perform. Polym. 25, 611–621 (2013). https://doi.org/10.1177/0954008313477120
Kutelia, E., Darsavelidze, G., Dzigrashvili, T., Gventsadze, D., Tsurtsumia, O., Gventsadze, L., Kukava, T., Rukhadze, L., Nadaraia, L., Kurashvili, I.: The inelastic/elastic and tribological properties of ptfe-based nanocomposites filled with co cluster-doped CNTs. Bull. Georgian Natl. Acad. Sci. 14 (2020)
Zhilin, C., Baochong, C., Zan, L., Dunzhong, Q., Aiping, Z.: An approach for preparation of excellent antiwear PTFE nanocomposites by filling as-prepared carbon nanotubes/nanorods(CNT/CNR) mixed nano-carbon material. China Pet. Process. Petrochem. Technol. 20, 34–40 (2018)
Islam, K., Saha, S., Masud, A.K.M.: Molecular dynamics simulation of the mechanical properties of CNT-polyoxymethylene composite with a reactive forcefield. Mol. Simul. 46, 380–387 (2020). https://doi.org/10.1080/08927022.2020.1711904
Brownell, M., Nair, A.K.: Deformation mechanisms of polytetrafluoroethylene at the nano- and microscales. Phys. Chem. Chem. Phys. 21, 490–503 (2019). https://doi.org/10.1039/C8CP05111A
Okada, O., Oka, K., Kuwajima, S., Tanabe, K.: Molecular dynamics studies of amorphous poly(tetrafluoroethylene). Mol. Simul. 21, 325–342 (1999). https://doi.org/10.1080/08927029908022072
Pan, D., Zhu, K., Zhang, Y., Sun, L., Hao, X.: First principles and molecular dynamics simulation investigation of mechanical properties of the PTFE/graphene composites. Composite B 242, 110050 (2022). https://doi.org/10.1016/j.compositesb.2022.110050
Chiu, P.Y., Barry, P.R., Perry, S.S., Sawyer, W.G., Phillpot, S.R., Sinnott, S.B.: Influence of the molecular level structure of polyethylene and polytetrafluoroethylene on their tribological response. Tribol. Lett. 42, 193–201 (2011). https://doi.org/10.1007/s11249-011-9763-0
Pan, D., Fan, B., Qi, X., Yang, Y., Hao, X.: Investigation of PTFE tribological properties using molecular dynamics simulation. Tribol. Lett. 67, 28 (2019). https://doi.org/10.1007/s11249-019-1141-3
Xu, M., Wang, T., Wang, Q., Zhang, X., Tao, L., Li, S.: Mechanical and tribological properties of polytetrafluoroethylene reinforced by nano-ZrO 2: molecular dynamic simulation. High Perform. Polym. 34, 397–405 (2022). https://doi.org/10.1177/09540083211072740
Song, J., Zhao, G., Ding, Q., Yang, Y.: Effect of SiO 2 on the tribological properties of PTFE sliding against Cu: a molecular dynamics simulation. Ind. Lubr. Tribol. 74, 774–779 (2022). https://doi.org/10.1108/ILT-12-2021-0470
Barry, P.R., Jang, I., Perry, S.S., Sawyer, W.G., Sinnott, S.B., Phillpot, S.R.: Effect of simulation conditions on friction in polytetrafluoroethylene (PTFE). J. Comput. Aid. Mater. Des. 14, 239–246 (2007). https://doi.org/10.1007/s10820-007-9087-4
Barry, P.R., Chiu, P.Y., Perry, S.S., Sawyer, W.G., Sinnott, S.B., Phillpot, S.R.: Effect of temperature on the friction and wear of PTFE by atomic-level simulation. Tribol. Lett. 58, 50 (2015). https://doi.org/10.1007/s11249-015-0529-y
Barry, P.R., Chiu, P.Y., Perry, S.S., Sawyer, W.G., Phillpot, S.R., Sinnott, S.B.: Effect of fluorocarbon molecules confined between sliding self-mated PTFE surfaces. Langmuir 27, 9910–9919 (2011). https://doi.org/10.1021/la201269c
Song, J., Zhao, G.: A molecular dynamics study on water lubrication of PTFE sliding against copper. Tribol. Int. 136, 234–239 (2019). https://doi.org/10.1016/j.triboint.2019.03.070
Song, H.: Improved mechanical and tribological properties of polytetrafluoroethylene reinforced by carbon nanotubes: a molecular dynamics study. Comput. Mater. Sci. 168, 131–136 (2019)
Xu, Q., Zhang, J., Li, X., van Duin, D.M., Hu, Y., van Duin, A.C.T., Ma, T.: How polytetrafluoroethylene lubricates iron: an atomistic view by reactive molecular dynamics. ACS Appl. Mater. Interfaces 14, 6239–6250 (2022). https://doi.org/10.1021/acsami.1c23950
Xu, Q., Zhang, J., Hu, Y.Z., Ma, T.B.: Tribological behavior of poly(tetrafluoroethylene) (PTFE) and its composites reinforced by carbon nanotubes and graphene sheets: molecular dynamics simulation. Phys. Status Solidi RRL (2021). https://doi.org/10.1002/pssr.202100298
Pan, D., Wang, H., Sun, L., Zhu, K., Hao, X.: Effect of temperature on Fe-polytetrafluoroethylene friction coefficient using molecular dynamics simulation. Tribol. Trans. 65, 705–715 (2022)
Xu, M., Wang, Q., Wang, T., Tao, L., Li, S.: Molecular dynamic simulation study of tribological mechanism of PI composites reinforced by CNTs with different orientations. Polym. Compos. (2022). https://doi.org/10.1002/pc.26476
Yu, B., Fu, S., Wu, Z., Bai, H., Ning, N., Fu, Q.: Molecular dynamics simulations of orientation induced interfacial enhancement between single walled carbon nanotube and aromatic polymers chains. Compos. Part Appl. Sci. Manuf. (2015). https://doi.org/10.1016/j.compositesa.2015.02.027
von Goeldel, S., Reichenbach, T., König, F., Mayrhofer, L., Moras, G., Jacobs, G., Moseler, M.: A combined experimental and atomistic investigation of PTFE double transfer film formation and lubrication in rolling point contacts. Tribol. Lett. 69, 136 (2021). https://doi.org/10.1007/s11249-021-01508-9
Pan, D., Liu, C., Qi, X., Yang, Y., Hao, X.: A tribological application of the coarse-grained molecular dynamics simulation and its experimental verification. Tribol. Int. 133, 32–39 (2018). https://doi.org/10.1016/j.triboint.2018.12.040
Savio, D., Hamann, J., Romero, P.A., Klingshirn, C., Bactavatchalou, R., Dienwiebel, M., Moseler, M.: Multiscale friction simulation of dry polymer contacts: reaching experimental length scales by coupling molecular dynamics and contact mechanics. Tribol. Lett. 69, 70 (2021). https://doi.org/10.1007/s11249-021-01444-8
Jang, I., Burris, D.L., Dickrell, P.L., Barry, P.R., Sawyer, W.G.: Sliding orientation effects on the tribological properties of polytetrafluoroethylene. J. Appl. Phys. 102, 617 (2007). https://doi.org/10.1063/1.2821743
Lim, W.-S., Khadem, M., Anle, Y., Kim, D.-E.: Fabrication of polytetrafluoroethylene-carbon nanotube composite coatings for friction and wear reduction. Polym. Compos. 39, E710–E722 (2018). https://doi.org/10.1002/pc.24135
Rungraeng, N., Cho, Y.-C., Yoon, S.H., Jun, S.: Carbon nanotube-polytetrafluoroethylene nanocomposite coating for milk fouling reduction in plate heat exchanger. J. Food Eng. 111, 218–224 (2012). https://doi.org/10.1016/j.jfoodeng.2012.02.032
Wang, K., Pan, X., Xu, X., Kan, W., Li, Y.L., Zheng, Y.: Chemically robust carbon nanotube-PTFE superhydrophobic thin films with enhanced ability of wear resistance. Prog. Nat. Sci. Int. 27, 112–115 (2017). https://doi.org/10.1016/j.pnsc.2017.04.004
Bhadra, M., Roy, S., Mitra, S.: Flux enhancement in direct contact membrane distillation by implementing carbon nanotube immobilized PTFE membrane. Sep. Purif. Technol. 161, 136–143 (2016). https://doi.org/10.1016/j.seppur.2016.01.046
Zhang, H., Zhang, Z., Guo, F., Wang, K., Jiang, W.: Enhanced wear properties of hybrid PTFE/cotton fabric composites filled with functionalized multi-walled carbon nanotubes. Mater. Chem. Phys. 116, 183–190 (2009). https://doi.org/10.1016/j.matchemphys.2009.03.008
Mori, T., Tanaka, K.: Average stress in matrix and average elastic energy of materials with misfitting inclusions. Acta Metall. 21, 571–574 (1973). https://doi.org/10.1016/0001-6160(73)90064-3
Zhu, F., Park, C., Jin Yun, G.: An extended Mori-Tanaka micromechanics model for wavy CNT nanocomposites with interface damage. Mech. Adv. Mater. Struct. 28, 295–307 (2021). https://doi.org/10.1080/15376494.2018.1562135
Domínguez-Rodríguez, G., Chaurasia, A., Seidel, G., Tapia, A., Avilés, F.: Hierarchical multiscale modeling of the effect of carbon nanotube damage on the elastic properties of polymer nanocomposites. J. Mech. Mater. Struct. 12, 263–287 (2017). https://doi.org/10.2140/jomms.2017.12.263
Alian, A.R., Kundalwal, S.I., Meguid, S.A.: Multiscale modeling of carbon nanotube epoxy composites. Polymer 70, 149–160 (2015). https://doi.org/10.1016/j.polymer.2015.06.004
Plimpton, S.: Fast parallel algorithms for short-range molecular dynamics. J. Comput. Phys. 117, 1–19 (1995). https://doi.org/10.1006/jcph.1995.1039
Haghighatpanah, S., Bolton, K.: Molecular-level computational studies of single wall carbon nanotube–polyethylene composites. Comput. Mater. Sci. 69, 443–454 (2013). https://doi.org/10.1016/j.commatsci.2012.12.012
Siepmann, J.I., Mcdonald, I.R.: Monte Carlo simulation of the mechanical relaxation of a self-assembled monolayer. Phys. Rev. Lett. 70, 453 (1993). https://doi.org/10.1103/physrevlett.70.453
Iljasiepmann, J., Mcdonald, Ianr.: Monte Carlo simulations of mixed monolayers. Mol. Phys. 75, 255–259 (1992). https://doi.org/10.1080/00268979200100201
Li, Y., Wang, S., Wang, Q., Xing, M.: Molecular dynamics simulations of tribology properties of NBR (Nitrile-Butadiene Rubber)/carbon nanotube composites. Composite B 97, 62–67 (2016). https://doi.org/10.1016/j.compositesb.2016.04.053
Eshelby, J.D.: The elastic field outside an ellipsoidal inclusion. Proc. R. Soc. Lond. 252, 561–569 (1959). https://doi.org/10.1098/rspa.1959.0173
Marzari, N., Ferrari, M.: Textural and micromorphological effects on the overall elastic response of macroscopically anisotropic composites. J. Appl. Mech. 59, 269–275 (1992). https://doi.org/10.1115/1.2899516
Nackenhorst, U.: The ALE-formulation of bodies in rolling contact. Comput. Methods Appl. Mech. Eng. 193, 4299–4322 (2004). https://doi.org/10.1016/j.cma.2004.01.033
Riva, G., Varriale, F., Wahlström, J.: A finite element analysis (FEA) approach to simulate the coefficient of friction of a brake system starting from material friction characterization. Friction. 9, 191–200 (2021). https://doi.org/10.1007/s40544-020-0397-9
Rae, P.J., Brown, E.N.: The properties of poly(tetrafluoroethylene) (PTFE) in tension. Polymer 46, 8128–8140 (2005). https://doi.org/10.1016/j.polymer.2005.06.120
Acknowledgements
This study is supported by the Defense Foundation Enhancement Program, Grant Number [2020-XXJQ-ZD-20X].
Author information
Authors and Affiliations
Contributions
All authors contributed to the study conception and design. Material preparation and analysis were performed by XW and XY. The first draft of the manuscript was written by CL and all authors commented on previous versions of the manuscript. All authors read and approved the final manuscript.
Corresponding author
Ethics declarations
Competing interests
The authors declare no competing interests.
Additional information
Publisher's Note
Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Rights and permissions
Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
About this article
Cite this article
Liang, C., Shuai, C., Yang, X. et al. Multi-scale Friction Simulation and Experimental Verification of Carbon Nanotube-Reinforced PTFE Composites. Tribol Lett 71, 87 (2023). https://doi.org/10.1007/s11249-023-01761-0
Received:
Accepted:
Published:
DOI: https://doi.org/10.1007/s11249-023-01761-0