Research on the friction and wear mechanism of a polymer interface at low temperature based on molecular dynamics simulation

Cheng, Ganlin; Chen, Bingzhe; Guo, Fei; Xiang, Chong; Jia, Xin

doi:10.1016/j.triboint.2023.108396

Cited by 14 publications

(4 citation statements)

References 29 publications

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“…The increase of the wear under high loads is resulted from the more often plastic deformation of the rough peaks and larger contact area. 52 It can be seen that the width of the wear scar was the largest in PA12 parts with 45° build orientation. The surface of the 3-90-5 sample, which has the lowest wear rate, did not show any distinct wear marks.…”

Section: Resultsmentioning

confidence: 91%

Effect of build orientation on the green tribological properties of multi-jet fusion manufactured PA12 parts

Gavcar,

Sumer,

Sagbas

et al. 2023

Proceedings of the Institution of Mechanical Engineers, Part J:

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Additive manufacturing (AM) is a newly developed technology for manufacturing parts from three-dimensional (3D) computer-aided design (CAD) models by depositing a material layer on layer. Multi-jet fusion (MJF) is one of the AM technologies that can be used for manufacturing functional parts like gear, linear, bearing, etc., by polymers. In various applications, technical processes, design of tribological systems, optimum lubrication, and reduction of wear and friction are significant performance criteria to provide energy and material conservation. The development of green tribological applications offers essential solutions to problems of ecosystem pollution and energy from a global point of view to increase sustainability. In this article, the green tribological behavior of Polyamide 12 (PA12) parts, manufactured by MJF with different build orientations was evaluated by ball-on-disc tribological tests under different normal loads and lubricated environments. Mechanical profilometer and digital microscope were used to evaluate surface quality and morphology. Scanning electron microscope (SEM) was used to determine the samples’ wear characteristics. The maximum surface roughness was measured for the part having a build orientation of 45°. The maximum coefficient of friction value was determined as 0.355 for the sample with 45° orientation under 5 N load and dry environment. The maximum wear rate value was determined as 2.3249 × 10−4 mm3/Nmm for the sample with 0° orientation under 10 N load and dry state. The differences between build orientations should be considered when evaluating tribological properties. This article provides a new perspective to researchers and practitioners toward green tribology of polymer AM parts.

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Section: Resultsmentioning

confidence: 91%

Effect of build orientation on the green tribological properties of multi-jet fusion manufactured PA12 parts

Gavcar,

Sumer,

Sagbas

et al. 2023

Proceedings of the Institution of Mechanical Engineers, Part J:

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“…Shear not only affects the conformation of polymer molecules but also causes a change in its velocity along the shear direction; exploring this velocity evolution can facilitate understanding of the microscopic friction mechanisms of polymers [82][83][84][85]. Figure 13 shows the velocity distribution curves of atoms in the NBR matrix containing different mass fractions of CNT along the z-axis direction.…”

Section: Velocity Distributionmentioning

confidence: 99%

Molecular Dynamics Simulation on Polymer Tribology: A Review

Yin,

Wang,

Guo

et al. 2024

Lubricants

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A profound comprehension of friction and wear mechanisms is essential for the design and development of high-performance polymeric materials for tribological application. However, it is difficult to deeply investigate the polymer friction process in situ at the micro/mesoscopic scale by traditional research methods. In recent years, molecular dynamics (MD) simulation, as an emerging research method, has attracted more and more attention in the field of polymer tribology due to its ability to show the physicochemical evolution between the contact interfaces at the atomic scale. Herein, we review the applications of MD in recent studies of polymer tribology and their research focuses (e.g., tribological properties, distribution and conformation of polymer chains, interfacial interaction, frictional heat, and tribochemical reactions) across three perspectives: all-atom MD, reactive MD, and coarse-grained MD. Additionally, we summarize the current challenges encountered by MD simulation in polymer tribology research and present recommendations accordingly, aiming to provide several insights for researchers in related fields.

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“…Presently, molecular dynamics simulations find widespread application in the examination of phenomena such as flow behavior, interfacial heat transfer, and interfacial adhesion. [30][31][32][33] Therefore, in this study, we selected copper as the metal matrix, polyphenylene sulfide as the polymer material, and polydopamine as the intermediate layer to construct model and employed molecular dynamics simulation to simulate the various stages of the nanoinjection molding process. By analyzing the changes in the polymer flow and filling morphology, we focused on the mechanism of the polydopamine coating on the polymermetal heterointerface bonding and anchorage strength in the nano-injection molding.…”

Section: Introductionmentioning

confidence: 99%

“…In the realm of theoretical polymer physics, particularly in the exploration of microscopic intricacies, the molecular dynamics (MD) simulation method has emerged as a crucial tool for investigating polymer properties. Presently, molecular dynamics simulations find widespread application in the examination of phenomena such as flow behavior, interfacial heat transfer, and interfacial adhesion 30–33 . Therefore, in this study, we selected copper as the metal matrix, polyphenylene sulfide as the polymer material, and polydopamine as the intermediate layer to construct model and employed molecular dynamics simulation to simulate the various stages of the nano‐injection molding process.…”

Section: Introductionmentioning

confidence: 99%

Effect of polydopamine surface modification on the adhesive properties of nano‐injection molded metal‐polymer interfaces: A molecular dynamics simulation study

Xin,

Yuan,

Luo

et al. 2024

Polymer Engineering & Sci

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Nano‐injection molding technology is an important method for large‐scale production of metal‐polymer composites of various shapes. The mechanical properties of these materials are closely related to the interfacial process. In this work, polyphenylene sulfide (PPS) and copper (Cu) were selected as candidate polymer and metal materials, and constructed four different polydopamine (PDA) coatings, including monomer, dimer, linear tetramer, and cyclic tetramer, to modify metal surfaces. The molecular dynamics simulations were launched to investigate the interaction behavior of heterogeneous interfaces during nano‐injection molding and the mechanism by which polydopamine affects the adhesion behavior at the copper‐polyphenylene sulfide interface. Results showed that the addition of polydopamine caused the polymer chains to form many anchor points on the contact surface, which inhibited the wall‐slip behavior of the polymer and led to a mushroom‐like movement of the polymer on the wall surface. The interfacial energy, filling rate data revealed that polydopamine contributes to the enhancement of interfacial adhesion properties, and the polydopamine dimer structure is the most effective of the four configurations. The enhancement of interfacial adhesion mainly originates from the enhancement of non‐bonding interactions and entanglement anchoring between PPS‐PDA.Highlights Polydopamine coating inhibits polymer slip behavior in nano‐injection molding. Polydopamine enhances bond strength of metal‐polymer composites effectively. Dopamine dimers have better adhesion properties than other structural dopamine. Polydopamine coating alters the adhesion mechanism at heterogeneous interfaces. The interface failure mode was closely related to the stress loading mode.

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Research on the friction and wear mechanism of a polymer interface at low temperature based on molecular dynamics simulation

Cited by 14 publications

References 29 publications

Effect of build orientation on the green tribological properties of multi-jet fusion manufactured PA12 parts

Effect of build orientation on the green tribological properties of multi-jet fusion manufactured PA12 parts

Molecular Dynamics Simulation on Polymer Tribology: A Review

Effect of polydopamine surface modification on the adhesive properties of nano‐injection molded metal‐polymer interfaces: A molecular dynamics simulation study

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