Molecular dynamics study on friction of polymer material polyoxymethylene (POM)

Xinmin Li; Yifan Qian; Yonglong Wu; Zhengjie Qiu; Runzhi Zhang; Laishi Nie

doi:10.1515/polyeng-2023-0260

Article

Molecular dynamics study on friction of polymer material polyoxymethylene (POM)

Xinmin Li , Yifan Qian , Yonglong Wu , Zhengjie Qiu , Runzhi Zhang and Laishi Nie

Published/Copyright: June 10, 2024

Published by

Become an author with De Gruyter Brill

Submit Manuscript Author Information

From the journal Journal of Polymer Engineering Volume 44 Issue 6

Abstract

Polyoxymethylene (POM) which shows good mechanical properties has a wide range of application in engineering. In this work, the nanoscale simulation method of molecular dynamics (MD) is used to make a more systematic simulation and calculation of the model of the resin material POM. With the application of software, the influence of friction depth, temperature, and sliding velocity on the frictional properties of POM was studied. The main conclusions are as follows: (1) In the range of 300 K–400 K, the temperature has little influence on the friction coefficient, but the fluctuation of friction force becomes larger as the temperature becomes larger. (2) When the friction depth increases, the plowing phenomenon and the accumulation of debris become more obvious and plastic deformation of POM increases. (3) When the friction velocity is changed, it is found that there is not much correlation between friction force and friction velocity, but as the friction velocity decrease, the friction force also decrease to a smaller extent. (4) The friction force will experience a growth period, and its value gradually stabilizes with some fluctuations, which are mainly caused by the atomic thermal motion, the effect of abrasive chip accumulation, and the release of stress energy caused by deformation.

Keywords: POM; molecular dynamics; friction; resin material

Corresponding author: Yifan Qian, School of Mechatronic Engineering and Automation, Shanghai University, Shanghai 200444, China, E-mail: qianyifan@shu.edu.cn

Acknowledgments

Throughout the writing of this dissertation, Qian YF have received a great deal of support and assistance. Qian YF would first like to thank my supervisor, Li XM, whose expertise was invaluable in formulating the research questions and methodology. His insightful feedback pushed me to sharpen thinking and brought my work to a higher level. Qian YF would particularly like to acknowledge my members, Zhang Runzhi, Wu Yonglng, Qiu Zhengjie, Zhang Runzhi, Nie Laishi, for their wonderful collaboration and patient support.

Research ethics: The local Institutional Review Board deemed the study exempt from review.
Author contributions: Writing original draft: Yifan Qian; data curation: Yonglong Wu and Zhengjie Qiu; resources: Runzhi Zhang and Laishi Nie; project administration and supervision: Xinmin Li. The authors have accepted responsibility for the entire content of this manuscript and approved its submission.
Competing interests: The authors state no competing interests.
Research funding: None declared.
Data availability: The raw data can be obtained on request from the corresponding author.

References

1. Ting, H.; Renguo, L.; Hongyan, W.; Yuning, M.; Jianshu, T.; Tongsheng, L. Investigation on the Tribological Properties of POM Modified by Nano-PTFE. J. Macromol. Sci., Part B 2011, 50 (7), 1235–1248; https://doi.org/10.1080/00222348.2010.503152.Search in Google Scholar

2. Sun, L.-H.; Yang, Z.-G.; Li, X.-H. Study on the Friction and Wear Behavior of POM/Al2O3 Nanocomposites. Wear 2007, 264, 693–700; https://doi.org/10.1016/j.wear.2007.06.005.Search in Google Scholar

3. Hu, K. H.; Wang, J.; Schraube, S.; Xu, Y. F.; Hu, X. G.; Stengler, R. Tribological Properties of MoS2 Nano-Balls as Filler in Polyoxymethylene-Based Composite Layer of Three-Layer Self-Lubrication Bearing Materials. Wear 2009, 266, 1198–1207; https://doi.org/10.1016/j.wear.2009.03.036.Search in Google Scholar

4. Zhang, Y., Zhu, S., Liu, Y., Yang, B., Wang, X. The Mechanical and Tribological Properties of Nitric Acid-Treated Carbon Fiber-Reinforced Polyoxymethylene Composites. J. Appl. Polym. Sci. 2015, 132(15), https://doi.org/10.1002/app.41812.Search in Google Scholar

5. Matkovič, S.; Pogačnik, A.; Kalin, M. Wear-Coefficient Analyses for Polymer-Gear Life-Time Predictions: a Critical Appraisal of Methodologies. Wear 2021, 480–481, 203944; https://doi.org/10.1016/j.wear.2021.203944.Search in Google Scholar

6. Mortazavi, B.; Cuniberti, G.; Rabczuk, T. Mechanical Properties and Thermal Conductivity of Graphitic Carbon Nitride: A Molecular Dynamics Study. Comput. Mater. Sci. 2014, 99, 285–289; https://doi.org/10.1016/j.commatsci.2014.12.036.Search in Google Scholar

7. García, J.; Collado Ciprés, V.; Blomqvist, A.; Kaplan, B. Cemented Carbide Microstructures: A Review. Int. J. Refract. Met. Hard Mater. 2018, 80, 40–68; https://doi.org/10.1016/j.ijrmhm.2018.12.004.Search in Google Scholar

8. Shang, Y.; Zhang, X.; Xu, H.; Li, J.; Jiang, S. Microscopic Study of Structure/Property Interrelation of Amorphous Polymers during Uniaxial Deformation: A Molecular Dynamics Approach. Polymer 2015, 77, 254–265; https://doi.org/10.1016/j.polymer.2015.09.017.Search in Google Scholar

9. Arun, A.; Kumar Singh, K. Friction and Wear Behaviour of Glass Fibre Reinforced Polymer Composite (GFRP) under Dry and Oil Lubricated Environmental Conditions. Mater. Today: Proc. 2017, 4 (8), 7285–7292; https://doi.org/10.1016/j.matpr.2017.07.058.Search in Google Scholar

10. Haidar, D. R.; Ye, J.; Moore, A. C.; Burris, D. L. Assessing Quantitative Metrics of Transfer Film Quality as Indicators of Polymer Wear Performance. Wear 2017, 380–381, 78–85; https://doi.org/10.1016/j.wear.2017.03.012.Search in Google Scholar

11. Leech, P. W.; Li, X. S.; Alam, N. Comparison of Abrasive Wear of a Complex High Alloy Hardfacing Deposit and WC–Ni Based Metal Matrix Composite. Wear 2012, 294–295, 380–386; https://doi.org/10.1016/j.wear.2012.07.015.Search in Google Scholar

12. Niemczewska-Wójcik, M.; Piekoszewski, W. The Surface Texture and its Influence on the Tribological Characteristics of a Friction Pair: Metal–Polymer. Arch. Civ. Mech. Eng. 2016, 17, 344–353; https://doi.org/10.1016/j.acme.2016.10.011.Search in Google Scholar

13. Chuanping, G.; Guofan, G.; Zhang, G. W. Q.; Wang, T.; Honggang, W. Formation Mechanisms and Functionality of Boundary Films Derived from Water Lubricated Polyoxymethylene/Hexagonal Boron Nitride Nanocomposites. Mater. Des. 2016, 115, 276–286; https://doi.org/10.1016/j.matdes.2016.11.016.Search in Google Scholar

14. Neis, P. D.; Ferreira, N. F.; da Silva, F. P. Comparison between Methods for Measuring Wear in Brake Friction Materials. Wear 2014, 319, 191–199; https://doi.org/10.1016/j.wear.2014.08.004.Search in Google Scholar

15. Dangi, B.; Brown, T. W.; Kulkarni, K. N. Effect of Silicon, Manganese and Nickel Present in Iron on the Intermetallic Growth at Iron – Aluminum Alloy Interface. J. Alloys Compd. 2018, 769, 777–787; https://doi.org/10.1016/j.jallcom.2018.07.364.Search in Google Scholar

16. Xie, H.; Ma, Z.; Zhang, W.; Zhao, H.; Ren, L. Probing the Atomic-Scale Origins of Anti-friction and Wear-Resisting in Graphene-Coated High-Entropy Alloys. Mater. Des. 2022, 223, 111178; https://doi.org/10.1016/j.matdes.2022.111178.Search in Google Scholar

17. Xinmin, L.; Runzhi, Z.; Zibo, L.; Yifan, P. Molecular Dynamics Study on Friction of the Iron-Aluminum Alloy. Mater. Today Commun. 2022, 33, 104402; https://doi.org/10.1016/j.mtcomm.2022.104402.Search in Google Scholar

18. Hu, X.; Martini, A. Atomistic Simulation of the Effect of Roughness on Nanoscale Wear. Comput. Mater. Sci. 2015, 102, 208–212; https://doi.org/10.1016/j.commatsci.2015.02.036.Search in Google Scholar

19. Choi, W.-M., Jo, Y. H., Sohn, S. S., Lee, S., Lee, B.-J. Understanding the Physical Metallurgy of the CoCrFeMnNi High-Entropy Alloy: An Atomistic Simulation Study. npj Comput. Mater. 2018, 4, 1–9; https://doi.org/10.1038/s41524-017-0060-9.Search in Google Scholar

20. Lates, M. T.; Velicu, R.; Gavrila, C. C. Temperature, Pressure, and Velocity Influence on the Tribological Properties of PA66 and PA46 Polyamides. Materials 2019, 12, 3452; https://doi.org/10.3390/ma12203452.Search in Google Scholar PubMed PubMed Central

21. Dmitriev, A. I.; Nikonov, A. Y.; Österle, W. Molecular Dynamics Sliding Simulations of Amorphous Ni, Ni-P and Nanocrystalline Ni Films. Comput. Mater. Sci. 2016, 129, 231–238; https://doi.org/10.1016/j.commatsci.2016.12.039.Search in Google Scholar

22. Daw, M. S.; Baskes, M. I. Embedded-Atom Method: Derivation and Application to Impurities, Surfaces, and Other Defects in Metals. Phys. Rev. B 1984, 29, 6443–6453; https://doi.org/10.1103/physrevb.29.6443.Search in Google Scholar

23. Vanossi, A.; Manini, N.; Urbakh, M.; Zapperi, S.; Tosatti, E. Colloquium: Modeling Friction: From Nanoscale to Mesoscale. Rev. Mod. Phys. 2013, 85, 529–552; https://doi.org/10.1103/revmodphys.85.529.Search in Google Scholar

24. Mo, Y.; Turner, K. T.; Szlufarska, I. Friction Laws at the Nanoscale. Nature 2009, 457, 1116–1119; https://doi.org/10.1038/nature07748.Search in Google Scholar PubMed

25. Won-Mi, C., Hee, J. Y., Su, S. S., Sunghak, L., Byeong-Joo, L. Understanding the Physical Metallurgy of the CoCrFeMnNi High-Entropy Alloy: An Atomistic Simulation Study. npj Comput. Mater. 2018, 4(1), 1–8; https://doi.org/10.1038/s41524-017-0060-9.Search in Google Scholar

26. Shinder, I. I.; Crowley, C. J.; James Filla, B.; Moldover, M. R. Improvements to NIST׳S Air Velocity Calibration Service. Flow Meas. Instrum. 2014, 44, 19–26; https://doi.org/10.1016/j.flowmeasinst.2014.11.005.Search in Google Scholar

27. Verlet, L. Computer “Experiments” on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules. Phys. Rev. 1967, 159, 98–103; https://doi.org/10.1103/physrev.159.98.Search in Google Scholar

28. Pogačnik, A.; Kalin, M. Parameters Influencing the Running-In and Long-Term Tribological Behaviour of Polyamide (PA) against Polyacetal (POM) and Steel. Wear 2012, 290–291, 140–148; https://doi.org/10.1016/j.wear.2012.04.017.Search in Google Scholar

29. Wu, Y.; Tan, J.; Li, X.; Qiu, Z.; Zhang, R. Molecular Dynamics Study on Friction of High-Entropy Alloy FeNiCrCoCu. Mater. Today Commun. 2023, 37, 107107; https://doi.org/10.1016/j.mtcomm.2023.107107.Search in Google Scholar

30. Chen, J.; Cao, Y.; Li, H. An Investigation on Wear Mechanism of POM/LLDPE Blends. J. Appl. Polym. Sci. 2006, 101, 48–53; https://doi.org/10.1002/app.23626.Search in Google Scholar

31. Cho, M. H.; Park, S. Micro CNC Surface Texturing on Polyoxymethylene (POM) and its Tribological Performance in Lubricated Sliding. Tribol. Int. 2011, 44, 859–867; https://doi.org/10.1016/j.triboint.2011.03.001.Search in Google Scholar

32. Unal, H.; Sen, U.; Mimaroglu, A. Dry Sliding Wear Characteristics of Some Industrial Polymers against Steel Counterface. Tribol. Int. 2004, 37, 727–732; https://doi.org/10.1016/j.triboint.2004.03.002.Search in Google Scholar

33. Shi, W.; Luo, X.; Zhang, Z.; Liu, Y.; Lu, W. Influence of External Load on the Frictional Characteristics of Rotary Model Using a Molecular Dynamics Approach. Comput. Mater. Sci. 2016, 122, 201–209; https://doi.org/10.1016/j.commatsci.2016.05.031.Search in Google Scholar

34. Benabdallah, H. Friction and Wear of Blended Polyoxymethylene Sliding against Coated Steel Plates. Wear 2003, 254, 1239–1246; https://doi.org/10.1016/s0043-1648(03)00041-3.Search in Google Scholar

35. Myshkin, N. K.; Petrokovets, M. I.; Kovalev, A. V. Tribology of Polymers: Adhesion, Friction, Wear, and Mass-Transfer. Tribol. Int. 2005, 38, 910–921; https://doi.org/10.1016/j.triboint.2005.07.016.Search in Google Scholar

36. Sun, L. H.; Yang, Z. G.; Li, X. H. Mechanical and Tribological Properties of Polyoxymethylene Modified with Nanoparticles and Solid Lubricants. Polym. Eng. Sci. 2008, 48, 1824–1832; https://doi.org/10.1002/pen.21150.Search in Google Scholar

Received: 2023-11-15

Accepted: 2024-03-26

Published Online: 2024-06-10

Published in Print: 2024-07-26

You are currently not able to access this content.

Articles in the same Issue

https://doi.org/10.1515/polyeng-2023-0260

Keywords for this article

POM; molecular dynamics; friction; resin material