Abstract
The method of molecular-dynamic modeling was applied for creating models of polyether ketone and two of its nanocomposites with fillers in the form of copper nanoparticles and with fullerene. The results of comparative study of the deformation-strength properties of these materials by means of uniaxial tension at a constant strain rate are presented. It was obtained that, when filling polyether ketone with fullerene, the elasticity value of the composite decreases by approximately two times, and in the case of filling of the same matrix with copper nanoparticles, its value increases by approximately 30%. At the same time, the average energy of intermolecular bonds of the composite with copper nanoparticles is 2.65 times greater than that of the composite with fullerene.
Similar content being viewed by others
REFERENCES
Kisel’, Yu.E., Kravchenko, I.N., Kupreenko, A.I., Kuznetsov, Yu.A., Erofeev, M.N., Velichko, S.A., and Barmina, O.V., The effect of the strength of components on the physicomechanical properties of composite materials, J. Mach. Manuf. Reliab., 2021, vol. 50, pp. 508–515. https://doi.org/10.3103/S105261882106011X
Lyalyakin, V.P., Aulov, V.F., Ishkov, A.V., Kravchenko, I.N., and Kuznetsov, Yu.A., Properties of wear-resistant composite coatings produced by high-speed boronizing, J. Mach. Manuf. Reliab., 2022, vol. 51, no. 2, pp. 134–142. https://doi.org/10.3103/S105261882202008X
Atkinson, J.R., Hay, J.N., and Jenkins, M.J., Enthalpic relaxation in semi-crystalline PEEK, Polymer, 2002, vol. 43, no. 3, pp. 731–735. https://doi.org/10.1016/S0032-3861(01)00668-1
Moby, V., Dupagne, L., Fouquet, V., Attal, J.-P., François, Ph., and Dursun, E., Mechanical properties of fused deposition modeling of polyetheretherketone (PEEK) and interest for dental restorations: A systematic review, Materials, 2022, vol. 15, no. 19, p. 6801. https://doi.org/10.3390/ma15196801
Frankland, S.J.V., Harik, V.M., Odegard, G., Brenner, D.W., and Gates, T.S., The stress–strain behavior of polymer–nanotube composites from molecular dynamics simulation, Compos. Sci. Technol., 2003, vol. 63, no. 11, pp. 1655–1661. https://doi.org/10.1016/S0266-3538(03)00059-9
Sun, H., Jin, Zh., Yang, Ch., Akkermans, R.L.C., Robertson, S.H., Spenley, N.A., Miller, S., and Todd, S.M., COMPASS II: extended coverage for polymer and drug-like molecule databases, J. Mol. Model., 2016, vol. 22, no. 2, p. 47. https://doi.org/10.1007/s00894-016-2909-0
Song, J., Lei, H., and Zhao, G., Improved mechanical and tribological properties of polytetrafluoroethylene reinforced by carbon nanotubes: A molecular dynamics study, Comput. Mater. Sci., 2019, vol. 168, pp. 131–136. https://doi.org/10.1016/j.commatsci.2019.05.058
Subramaniyan, A.K. and Sun, C.T., Continuum interpretation of virial stress in molecular simulations, Int. J. Solids Struct., 2008, vol. 45, nos. 14–15, pp. 4340–4346. https://doi.org/10.1016/j.ijsolstr.2008.03.016
Najeeb, S., Zafar, M.S., Khurshid, Z., and Siddiqui, F., Applications of polyetheretherketone (PEEK) in oral implantology and prosthodontics, J. Prosthodontic Res., 2016, vol. 60, no. 1, pp. 12–19. https://doi.org/10.1016/j.jpor.2015.10.001
Li, X. and Sedakova, E.B., Molecular-dynamic modeling applied for analysis of composite wear resistance increasing as compared with the original polymer matrix, Vopr. Materialoved., 2022, no. 1, pp. 126–133. https://doi.org/10.22349/1994-6716-2020-106-2-126-13
Li, S. and Sedakova, E.B., Molecular modeling of frictional fracture kinetics of polymer composites using F4K20 as an example, J. Frict. Wear, 2022, vol. 43, no. 6, pp. 404–409. https://doi.org/10.3103/S1068366622060095
Ginzburg, B.M., Voznyakovskii, A.P., Evlashenko, S.I., and Tochil’nikov, D.G., Antifriction polymer material, RF Patent no. 2378297, 2010.
Savagatrup, S., Makaram, A.S., Burke, D.J., and Lipomi, D.J., Mechanical properties of conjugated polymers and polymer fullerene composites as a function of molecular structure, Adv. Funct. Mater., 2014, vol. 24, no. 8, pp. 1169–1181. https://doi.org/10.1002/adfm.201302646
Kim, J.H., Noh, J., Choi, H., Lee, J.-Yo., and Kim, T.-S., Mechanical properties of polymer-fullerene bulk heterojunction films: Role of nanomorphology of composite films, Chem. Mater., 2017, vol. 29, no. 9, pp. 3954–3961. https://doi.org/10.1021/acs.chemmater.7b00184
Molefi, J.A., Luyt, A.S., and Krupa, I., Comparison of the influence of copper micro-and nano-particles on the mechanical properties of polyethylene/copper composites, J. Mater. Sci., 2010, vol. 45, no. 1, pp. 82–88. https://doi.org/10.1007/s10853-009-3894-9
Harandi, M.H., Alimoradi, F., Rowshan, G., Faghihi, M., Keivani, M., and Abadyan, M., Morphological and mechanical properties of styrene butadiene rubber/nano copper nanocomposites, Results Phys., 2017, vol. 7, pp. 338–344. https://doi.org/10.1016/j.rinp.2016.11.022
Pesetskii, S.S., Bogdanovich, S.P., and Myshkin, N.K., Tribological behavior of nanocomposites produced by the dispersion of nanofillers in polymer melts, J. Frict. Wear, 2007, vol. 28, no. 5, pp. 457–475. https://doi.org/10.3103/S1068366607050091
Funding
This work was carried out within the framework of a State Assignment of the Ministry of Science and Higher Education of the Russian Federation, project no. 121112500318-1.
Author information
Authors and Affiliations
Corresponding author
Ethics declarations
The authors declare that they have no conflicts of interest.
Additional information
Translated by K. Gumerov
About this article
Cite this article
Li, S., Sedakova, E.B. Modeling the Influence of Nanosized Fillers on the Mechanical Properties and Wear Resistance of a Composite Based on Polyether Ether Ketone. J. Mach. Manuf. Reliab. 52, 241–245 (2023). https://doi.org/10.3103/S105261882303010X
Received:
Revised:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.3103/S105261882303010X