Atomistic simulations of friction at an ice-ice interface

Samadashvili, Nino; Reischl, Bernhard; Hynninen, Teemu; Ala-Nissilä, Tapio; Foster, Adam S.

doi:10.1007/s40544-013-0021-3

Cited by 18 publications

(13 citation statements)

References 69 publications

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“…Moreover, the interpretation of ice surface premelting as a plastic act due to first-order transition agrees with the results of atomistic and statistical field approaches, developed in studies [18,19].…”

Section: Discontinuous First-order Transition Due To Deformational Desupporting

confidence: 83%

“…Consideration of strain proportionally to the thickness of premelting ice layer reveals a qualitative agreement of equation (25) with the results of molecular dynamics simulations and statistical field theory [18,19]. Besides, in line with [18], we reckon that the friction reduces with the temperature growth because hydrogen couplings fail. Using equations (20) and (21) we get the stationary values of stress and temperature:…”

Section: -4supporting

confidence: 81%

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Nonlinear model of ice surface softening during friction

Хоменко¹,

Khomenko²,

Falko³

2016

Condens. Matter Phys.

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The ice surface softening during friction is shown as a result of spontaneous appearance of shear strain caused by external supercritical heating. This transformation is described by the Kelvin-Voigt equation for viscoelastic medium, by the relaxation equations of Landau-Khalatnikov-type and for heat conductivity. The study reveals that the above-named equations formally coincide with the synergetic Lorenz system, where the order parameter is reduced to shear strain, stress acts as the conjugate field, and temperature plays the role of a control parameter. Using the adiabatic approximation, the stationary values of these quantities are derived. The examination of dependence of the relaxed shear modulus on strain explains the ice surface softening according to the first-order transition mechanism. The critical heating rate is proportional to the relaxed value of the ice shear modulus and inversely proportional to its typical value.

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Section: Discontinuous First-order Transition Due To Deformational Desupporting

confidence: 83%

Section: -4supporting

confidence: 81%

Nonlinear model of ice surface softening during friction

Хоменко¹,

Khomenko²,

Falko³

2016

Condens. Matter Phys.

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“…The all-atom optimized potentials for liquid simulations (OPLS-AA) are used for graphene, which predicts a Young’s modulus of 843.5 GPa and a bending stiffness of 1.77 eV, both are consistent with the values reported in the litearture 9 , 33 – 35 . TIP4P/Ew and the extended simple point charge model (SPC/E) models of water are used for a comparative study, which were both widely adopted for MD simulations of water and its phase transition behaviors 36 – 38 . Our MD simulation results show that these two models predict the same water structure, but slightly different structural transition temperature.…”

Section: Methodsmentioning

confidence: 99%

Structures and thermodynamics of water encapsulated by graphene

Jiao

Duan

2017

Sci Rep

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Understanding phase behaviors of nanoconfined water has driven notable research interests recently. In this work, we examine water encapsulated under a graphene cover that offers an ideal testbed to explore its molecular structures and thermodynamics. We find layered water structures for up to ~1000 trapped water molecules, which is stabilized by the spatial confinement and pressure induced by interfacial adhesion. For monolayer encapsulations, we identify representative two-dimensional crystalline lattices as well as defects therein. Free energy analysis shows that the structural orders with low entropy are compensated by high formation energies due to the pressurized confinement. There exists an order-to-disorder transition for this condensed phase at ~480–490 K, with a sharp reduction in the number of hydrogen bonds and increase in the entropy. Fast diffusion of the encapsulated water demonstrates anomalous temperature dependence, indicating the solid-to-fluid nature of this structural transition. These findings offer fundamental understandings of the encapsulated water that can be used as a pressurized cell with trapped molecular species, and provide guidance for practical applications with its presence, for example, in the design of nanodevices and nanoconfined reactive cells.

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“…Friction on ice has been studied for many years [3,4,6,14,15,28]. We here focus on rubber friction on ice, a topic of great practical importance when it comes to grip of tires on icy road surfaces [9].…”

Section: Introductionmentioning

confidence: 99%

Rubber Friction on Ice: Experiments and Modeling

et al. 2016

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Rubber friction on ice is studied both experimentally and theoretically. The friction tests involve three different rubber tread compounds and four ice surfaces exhibiting different roughness characteristics. Tests are carried out at four different ambient air temperatures ranging from À5 to À13 C, under three different nominal pressures ranging from 0.15 to 0:45 MPa, and at the sliding speed 0.65 m/s. The viscoelastic properties of all the rubber compounds are characterized using dynamic mechanical analysis. The surface topography of all ice surfaces is measured optically. This provides access to standard roughness quantities and to the surface roughness power spectra. As for modeling, we consider two important contributions to rubber friction on ice: (1) a contribution from the viscoelasticity of the rubber activated by ice asperities scratching the rubber surface and (2) an adhesive contribution from shearing the area of real contact between rubber and ice. At first, a macroscopic empirical formula for the friction coefficient is fitted to our test results, yielding a satisfactory correlation. In order to get insight into microscopic features of rubber friction on ice, we also apply the Persson rubber friction and contact mechanics theory. We discuss the role of temperature-dependent plastic smoothing of the ice surfaces and of frictional heating-induced formation of a meltwater film between rubber and ice. The elaborate model exhibits very satisfactory predictive capabilities. The study shows the importance of combining advanced testing and state-ofthe-art modeling regarding rubber friction on ice.

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Atomistic simulations of friction at an ice-ice interface

Cited by 18 publications

References 69 publications

Nonlinear model of ice surface softening during friction

Nonlinear model of ice surface softening during friction

Structures and thermodynamics of water encapsulated by graphene

Rubber Friction on Ice: Experiments and Modeling

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