Molecular dynamics study of the frictional behaviors of diamond-like carbon films

Wei, Peng; He, Muyang; Ao, Weibin

doi:10.1007/s00339-021-04814-0

Cited by 10 publications

(4 citation statements)

References 61 publications

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“…A similar behavior is also observed in the rectangular textured system. To investigate possible friction mechanisms caused by the contact pressure and textured shape of a-C films, it is necessary to analyze the interfacial structural change that is closely related to the friction behavior [10]. Figure 7 shows the variation of the carbon hybridized structure with contact pressure for both the circular and rectangular textured systems after the sliding process.…”

Section: Resultsmentioning

confidence: 99%

“…For example, Li [ 9 ] investigated the friction properties of self-mated a-C films with hydrogenated surfaces through reactive molecular dynamics (RMD) simulation and reported that the hydrogenated treatment of an a-C surface significantly improved tribological properties under low load conditions without impairing the intrinsic properties of a-C film, which was attributed to the hydrogen-induced repulsive effect and interfacial passivation. Wei [ 10 ] studied the influence of sliding speeds on the friction behavior of a-C film, and the results showed that the development of friction with sliding time had two modes: sawtooth-type stick-slip friction at a low sliding speed and smooth friction at a high sliding speed. Wang [ 11 ] systemically discussed the effects of load on the tribological behaviors of a-C film and reported that both the friction coefficient and wear rate of a-C film fell off as the applied load rose, with the friction coefficient being mainly dependent on the graphitization level of the interface, while both the decreased friction coefficient and increased heat dissipation contributed to the decrease of the wear rate.…”

Section: Introductionmentioning

confidence: 99%

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Atomic-Scale Understanding on the Tribological Behavior of Amorphous Carbon Films under Different Contact Pressures and Surface Textured Shapes

Chen,

Du,

et al. 2023

Materials

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The textured design of amorphous carbon (a-C) film can significantly improve the tribological performance and service life of moving mechanical components. However, its friction dependence on different texture shapes, especially under different load conditions, remains unclear. In particular, due to the lack of information regarding the friction interface, the underlying friction mechanism has still not been unveiled. Therefore, the effects of contact pressure and textured shapes on the tribological behavior of a-C films under dry friction conditions were comparatively studied in this work by reactive molecular dynamics simulation. The results show that under low contact pressure, the tribological property of a-C film is sensitive to the textured shape, and the system with a circular textured surface exhibits a lower friction coefficient than that with a rectangular textured surface, which is attributed to the small fraction of unsaturated bonds. However, the increase of contact pressure results in the serious reconstruction and passivation of the friction interface. On the one hand, this induces a growth rate of friction force that is much smaller than that of the normal load, which is followed by a significant decrease in the friction coefficient with contact pressure. On the other hand, the destruction or even disappearance of the textured structure occurs, weakening the difference in the friction coefficient caused by different textured shapes of the a-C surface. These results reveal the friction mechanism of textured a-C film and provide a new way to functionalize the a-C as a protective film for applications in hard disks, MEMS, and NEMS.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Atomic-Scale Understanding on the Tribological Behavior of Amorphous Carbon Films under Different Contact Pressures and Surface Textured Shapes

Chen,

Du,

et al. 2023

Materials

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“…The calculations were carried out using the MD simulation as implemented in the LAMMPS simulation package [ 68 , 69 , 70 ], with AIREBO interatomic potential [ 60 ]. The AIREBO parameterization is based on a wide range of experimental data on the properties of carbon structures and hydrocarbons, which allows for a successive use of this potential for a wide variety of issues [ 30 , 67 , 71 , 72 , 73 ]. However, for example, to study different paths for the phase transformations, it is better to use the well-known ReaxFF potential [ 35 , 74 , 75 ].…”

Section: Simulation Detailsmentioning

confidence: 99%

“…Therefore, DLP films have been widely used as protective coatings for improving friction and wear properties of different surfaces [ 28 , 29 ]. Moreover, DLPs are very promising as protective coatings for nano-electromechanical systems and modern electronic devices [ 30 ]. Thus, analyzing the mechanical properties, tribological, and friction behavior is important for enhancing the functional design of new nano-electromechanical systems.…”

Section: Introductionmentioning

confidence: 99%

An Overview of Mechanical Properties of Diamond-like Phases under Tension

Baimova

2024

Nanomaterials

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Diamond-like phases are materials with crystal lattices very similar to diamond. Recent results suggest that diamond-like phases are superhard and superstrong materials that can be used for tribological applications or as protective coatings. In this work, 14 stable diamond-like phases based on fullerenes, carbon nanotubes, and graphene layers are studied via molecular dynamics simulation. The compliance constants, Young’s modulus, and Poisson’s ratio were calculated. Deformation behavior under tension is analyzed based on two deformation modes—bond rotation and bond elongation. The results show that some of the considered phases possess very high Young’s modulus (E≥1) TPa, even higher than that of diamond. Both Young’s modulus and Poisson’s ratio exhibit mechanical anisotropy. Half of the studied phases are partial auxetics possessing negative Poisson’s ratio with a minimum value of −0.8. The obtained critical values of applied tensile strain confirmed that diamond-like phases are high-strength structures with a promising application prospect. Interestingly, the critical limit is not a fracture but a phase transformation to the short-ordered crystal lattice. Overall, our results suggest that diamond-like phases have extraordinary mechanical properties, making them good materials for protective coatings.

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