Molecular dynamics study on velocity-dependent threshold behavior of wearless nano-friction

Omote, Noriyoshi; Maruyama, Tomoki; Araki, Harumi; Matsumura, Daiju; Tanaka, Daisuke; Kaneko, Misato; Hayashi, Keiji

doi:10.1088/1742-6596/89/1/012008

Cited by 2 publications

(2 citation statements)

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“…[12][13][14] Coupling between the lattice dynamics and the phonons of the two surfaces dominates the observed behavior. 15 Modelling friction has been able to help clarify the origins of these effects on the nanoscale and mesoscale. [16][17][18] In particular, these trends have been confirmed by Non-equilibrium Molecular Dynamics (NEMD) calculations carried out in the last few decades, which have also shown that the relative orientation of the two surfaces can have a marked effect on µ.…”

Section: Introductionmentioning

confidence: 99%

Non-equilibrium phase behavior and friction of confined molecular films under shear: A non-equilibrium molecular dynamics study

Maćkowiak

Heyes

Dini

et al. 2016

The Journal of Chemical Physics

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The phase behavior of a confined liquid at high pressure and shear rate, such as is found in elastohydrodynamic lubrication, can influence the traction characteristics in machine operation.Generic aspects of this behavior are investigated here using Non-equilibrium Molecular Dynamics (NEMD) simulations of confined Lennard-Jones (LJ) films under load with a recently proposed wall-driven shearing method without wall atom tethering [Gattinoni, Maćkowiak, Heyes, Brańka and Dini, Phys. Rev. E 90, 043302 (2014)]. The focus is on thick films in which the nonequilibrium phases formed in the confined region impact on the traction properties. The nonequilibrium phase and tribological diagrams are mapped out in detail as a function of load, wall sliding speed and atomic scale surface roughness, which is shown can have a significant effect. The transition between these phases is typically not sharp as the external conditions are varied. The magnitude of the friction coefficient depends strongly on the nonequilibrium phase adopted by the confined region of molecules, and in general does not follow the classical friction relations between macroscopic bodies, e.g., the frictional force can decrease with increasing load in the Plug-Slip (PS) region of the phase diagram owing to structural changes induced in the confined film. The friction coefficient can be extremely low (∼ 0.01) in the PS region as a result of incommensurate alignment between a (100) face-centered cubic wall plane and reconstructed (111) layers of the confined region near the wall. It is possible to exploit hysteresis to retain low friction PS states well into the Central Localization high wall speed region of the phase diagram.Stick-Slip behavior due to periodic in-plane melting of layers in the confined region and subsequent annealing is observed at low wall speeds and moderate external loads. At intermediate wall speeds and pressure values (at least) the friction coefficient decreases with increasing well depth of the LJ potential between the wall atoms, but increases when the attractive part of the potential between wall atoms and confined molecules is made larger.2

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Section: Introductionmentioning

confidence: 99%

Non-equilibrium phase behavior and friction of confined molecular films under shear: A non-equilibrium molecular dynamics study

Maćkowiak

Heyes

Dini

et al. 2016

The Journal of Chemical Physics

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“…MD is also used to verify various models that have been proposed to calculate nanoscale friction. 86 For instance, Omote et al 87 used MD with LJ 6-12 potential to understand the parameters governing the threshold behaviour of wear-less nanofriction. In this study, the threshold-sliding velocity required for initiating wear-less sliding motion at the nanoscale was found to depend chiefly on the lattice-constant ratio of the two surfaces in contact.…”

Section: Molecular Dynamicsmentioning

confidence: 99%

Theoretical and computational studies on nanofriction: A review

Sankar

Kakkar

Dubey

et al. 2019

Proceedings of the Institution of Mechanical Engineers, Part J:

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The subject of nanofriction having its origins in the late 19th century has slowly but surely started picking up lately. With rapid advancements in science and technology throughout the last century, understanding nanofriction has been gaining prominence. In this context, and in the current 21st century of nanotechnology, it is expected that nanofriction will play a predominant role, as we try moving forward to solve the most pressing medical and biological problems with the usage of nanobots. It is important to understand the challenges we have to encounter in order to solve these problems for the benefit of the human race. The availability of high speed computers and smart algorithms has made it possible to investigate the problems (as outlined above and many more) without compromising on the complexities involved. The focus of the present review is to bring together major theoretical/mathematical models and computational approaches to study friction at nanoscale. The role of adhesion in the estimation of force of friction at nanoscale has also been clearly outlined. A critical discussion on the significance of single and multiple asperity models towards estimating friction at nanoscale has also been provided. At the end, a short description on scanning probe microscopy in estimating nanofriction has been provided for the completeness of the review.

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Molecular dynamics study on velocity-dependent threshold behavior of wearless nano-friction

Cited by 2 publications

References 6 publications

Non-equilibrium phase behavior and friction of confined molecular films under shear: A non-equilibrium molecular dynamics study

Non-equilibrium phase behavior and friction of confined molecular films under shear: A non-equilibrium molecular dynamics study

Theoretical and computational studies on nanofriction: A review

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