Molecular dynamics simulations of atomic-scale tribology between amorphous DLC and Si-DLC films

Lan, Huiqing; Kato, Takahisa; Liu, Can

doi:10.1016/j.triboint.2010.10.006

Cited by 23 publications

(11 citation statements)

References 9 publications

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“…Although these values were much higher than that in experiment, previous studies had clearly confirmed that it was appropriate and necessary for examining the friction behavior on an atomic scale. In addition, it should be mentioned that the load values, generated at the same contact pressure, were different from previous reports . This was attributed to the difference in the surface state (hybridization, adatom passivation, and roughness) of a‐C structure, suggesting that the direct and accurate comparison between macro‐ and microscopic results remains a big challenge until now.…”

Section: Methodsmentioning

confidence: 72%

Tribo‐Induced Structural Transformation and Lubricant Dissociation at Amorphous Carbon–Alpha Olefin Interface

Wang

Lee

2018

Advcd Theory and Sims

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Amorphous carbon (a-C) combined with a fluid lubricant is capable of providing an ultra-low friction state and thus achieving long lifetime and reliable operation. However, the understanding of the atomistic process occurring at the sliding friction interfaces, especially the interfacial structure transformation and lubricant dissociation at different contact states, is still not well understood. Here, using reactive molecular dynamics simulation, the friction behavior of a self-mated a-C system composited with different alpha olefins (AOs) as lubricants is comparatively investigated, and the results present that due to the co-existence of tribo-induced thermal and shearing effects, AOs exhibit different physicochemical behaviors at the a-C-a-C interface compared to that at the a-C surface. Although introducing AOs into a self-mated a-C system reduces the friction coefficient, its efficiency strongly relies on the AO variety and contact pressure. The pressure-driven dissociation of AOs passivates the friction interface, resulting in the evolution of the primary friction mechanism from hydrodynamic lubrication to interfacial passivation that is not accessible by experimental characterization. The corresponding scission sites of different AOs are demonstrated, which enriches the fundamental understanding on sliding friction behavior and offers a comprehensive design criterion for lubricants (viscosity, chain length, and bond saturated states) and a-C to achieve nearly frictionless sliding interface.

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Section: Methodsmentioning

confidence: 72%

Tribo‐Induced Structural Transformation and Lubricant Dissociation at Amorphous Carbon–Alpha Olefin Interface

Wang

Lee

2018

Advcd Theory and Sims

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“…33−35 Perry et al have also performed the simulations of stick−slip phenomenon under the high sliding speed at atomic scale. 36 Some researchers carried out MD simulations with a lower velocity than 100 m/s, e.g., 25 37 and 20 m/s. 12 In this study, we used 10 m/s, although it is higher than the experiment study, and it is closer to the experiment condition.…”

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confidence: 99%

Friction Reduction Mechanism of Hydrogen- and Fluorine-Terminated Diamond-Like Carbon Films Investigated by Molecular Dynamics and Quantum Chemical Calculation

et al. 2012

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The friction reduction mechanisms of diamond-like carbon (DLC) and H-or F-terminated DLC films were investigated using molecular dynamics (MD) and tight-binding quantum chemistry (TBQC) calculations. Atomistic-scale friction dynamics of both DLC and the surface-terminated DLC model in which the unsaturated bonds on their surface were terminated with H or F atoms were investigated by MD. The F-terminated DLC model showed lower friction than that of the H-terminated DLC model because of the stronger repulsive Coulombic force between F atoms at the surfaces. On the other hand, strong van der Waals interaction acting on the interface was observed for the H-terminated DLC model compared to that for the F-terminated DLC models. TBQC calculation indicates a bonding interaction between the surfaces of DLC, while the antibonding interaction was observed for the surface-terminated DLC model. Those interactions would make the difference in the friction properties among the studied models.

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“…1 shows the interaction between the beads of lubricant molecules and a DLC substrate. The DLC substrate consists of carbon atoms and is prepared by subsequent heating and quenching of BCC or FCC diamond crystals by molecular dynamics simulations following the procedures [28][29][30][31] using the Tersoff potential. 32,33 The DLC substrate obtained from atomistic simulation was compressed to half of its original dimension so that no lubricant molecules could diffuse inside the DLC substrate during simulation.…”

Section: Simulation Detailsmentioning

confidence: 99%

Thermal decomposition and desorption of PFPE Zdol on a DLC substrate using quartic bond interaction potential

Nath

2015

RSC Adv.

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Molecular dynamics simulations of atomic-scale tribology between amorphous DLC and Si-DLC films

Cited by 23 publications

References 9 publications

Tribo‐Induced Structural Transformation and Lubricant Dissociation at Amorphous Carbon–Alpha Olefin Interface

Tribo‐Induced Structural Transformation and Lubricant Dissociation at Amorphous Carbon–Alpha Olefin Interface

Friction Reduction Mechanism of Hydrogen- and Fluorine-Terminated Diamond-Like Carbon Films Investigated by Molecular Dynamics and Quantum Chemical Calculation

Thermal decomposition and desorption of PFPE Zdol on a DLC substrate using quartic bond interaction potential

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