2,213 research outputs found

    Atomic Scale Sliding and Rolling of Carbon Nanotubes

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    A carbon nanotube is an ideal object for understanding the atomic scale aspects of interface interaction and friction. Using molecular statics and dynamics methods different types of motion of nanotubes on a graphite surface are investigated. We found that each nanotube has unique equilibrium orientations with sharp potential energy minima. This leads to atomic scale locking of the nanotube. The effective contact area and the total interaction energy scale with the square root of the radius. Sliding and rolling of nanotubes have different characters. The potential energy barriers for sliding nanotubes are higher than that for perfect rolling. When the nanotube is pushed, we observe a combination of atomic scale spinning and sliding motion. The result is rolling with the friction force comparable to sliding.Comment: 4 pages (two column) 6 figures - one ep

    Shear rate threshold for the boundary slip in dense polymer films

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    The shear rate dependence of the slip length in thin polymer films confined between atomically flat surfaces is investigated by molecular dynamics simulations. The polymer melt is described by the bead-spring model of linear flexible chains. We found that at low shear rates the velocity profiles acquire a pronounced curvature near the wall and the absolute value of the negative slip length is approximately equal to thickness of the viscous interfacial layer. At higher shear rates, the velocity profiles become linear and the slip length increases rapidly as a function of shear rate. The gradual transition from no-slip to steady-state slip flow is associated with faster relaxation of the polymer chains near the wall evaluated from decay of the time autocorrelation function of the first normal mode. We also show that at high melt densities the friction coefficient at the interface between the polymer melt and the solid wall follows power law decay as a function of the slip velocity. At large slip velocities the friction coefficient is determined by the product of the surface induced peak in the structure factor, temperature and the contact density of the first fluid layer near the solid wall.Comment: 37 pages, 16 figure

    Combined lubricant-surface system perspective: multi-scale numerical-experimental investigation

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    Frictional losses are one of the main causes of reduced energy efficiency in all machines and mechanisms. In particular, there is mounting pressure upon manufacturers of all forms of vehicle to comply with increasingly stringent legislation and directives with regard to harmful emissions. Therefore, reduction of friction has become an imperative issue. The traditional approach of dealing with surface material and lubricant formulation in isolation has been replaced by a lubricant–surface system approach. This paper presents multi-scale experimentation from nano/meso-scale lateral force microscopy of ultra-thin surface adsorbed films through to micro-scale precision sliding tribometry to investigate lubricant–surface friction optimisation within the mixed regime of lubrication, using lubricants with different organic and inorganic friction modifying species. These affect the parameters of the system, commonly used as input to models for mixed and boundary regimes of lubrication. Therefore, the precise measurement of these parameters at different physical scales is important. The study also makes use of detailed numerical predictions at micro-scale through combined solution of the average Reynolds equation as well as interaction of wetted asperities in mixed and boundary regimes of lubrication. Good agreement is found between the predictions and measurements at micro-scale tribometric interactions. Furthermore, the same trends are observed in testing across the physical scales

    The Static and Dynamic Lattice Changes Induced by Hydrogen Adsorption on NiAl(110)

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    Static and dynamic changes induced by adsorption of atomic hydrogen on the NiAl(110) lattice at 130 K have been examined as a function of adsorbate coverage. Adsorbed hydrogen exists in three distinct phases. At low coverages the hydrogen is itinerant because of quantum tunneling between sites and exhibits no observable vibrational modes. Between 0.4 ML and 0.6 ML, substrate mediated interactions produce an ordered superstructure with c(2x2) symmetry, and at higher coverages, hydrogen exists as a disordered lattice gas. This picture of how hydrogen interacts with NiAl(110) is developed from our data and compared to current theoretical predictions.Comment: 36 pages, including 12 figures, 2 tables and 58 reference
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