Related papers: Adsorption property of fatty acid on iron surface …
The adsorption and dissociation of nitrogen molecule on Fe(111) surface is studied by density functional theory calculations. The simulation results show that the molecule needs to acquire parallel orientation with respect to the surface…
The effect of surface curvature on the law relating frictional forces F with normal load L is investigated by molecular dynamics simulations as a function of surface symmetry, adhesion, and contamination. Curved, non-adhering, dry,…
Using the atomic density function theory (ADFT), we examine the point defect absorption at [110] symmetrical tilt grain boundaries in body-centered cubic iron. It is found that the sink strength strongly depends on misorientation angle. We…
We present the results of ab initio calculations describing the adsorption of certain small organic molecules on clean and oxidized Al(111) surfaces as well as on the alpha-Al2O3(0001) surface. Our results show that adsorption of benzene on…
It is proposed that lubricant molecules adsorbed on an interface between two asperities in contact, which is rough on the atomic scale, can switch the interface from the strong to weak pinning regime, resulting in a large reduction in the…
Traditional laws of friction believe that the friction coefficient of two specific solids takes constant value. However, molecular simulations revealed that the friction coefficient of nanosized asperity depends strongly on contact size and…
We study the influence of the surface energy and contamination films on rubber adhesion and sliding friction. We find that there is a transfer of molecules from the rubber to the substrate which reduces the work of adhesion and makes the…
The initiation of intergranular corrosion at various types of grain boundaries (GBs) was studied at the nanometer scale on microcrystalline copper in 1 mM HCl aqueous solution. In situ Electrochemical Scanning Tunneling Microscopy (ECSTM)…
The adsorption of atomic oxygen and its inclusion into subsurface sites on Ag(210) and Ag(410) surfaces have been investigated using density functional theory. We find that--in the absence of adatoms on the first metal layer--subsurface…
We investigate the effective friction encountered by a mass sliding on a granular layer as a function of bed thickness and boundary roughness conditions. The observed friction has minima for a small number of layers before it increases and…
This paper reports on the frictional properties of smooth rubber substrates sliding against rigid surfaces covered with various densities of colloidal nano-particles (average diameter 77 nm). Friction experiments were carried out using a…
Adsorption of $O_{2}$ molecule on Al surface has been a long standing puzzle for the first principles calculation. We have studied the adsorption of $O_{2}$ molecule on the Al(111) surface using hybrid functionals. In contrast to the…
Grain boundaries can dissociate into facets if that reduces their excess energy. This, however, introduces line defects at the facet junctions, which present a driving force to grow the facets in order to reduce the total number of…
Stability of lubricating fluid infused slippery surfaces is a concern for scientists and engineers and attempts are being made for its improvement. Lubricating oil coated slippery surface for aqueous drops is one of the important candidates…
In light of the race towards macroscale superlubricity of graphitic contacts, the effect of grain boundaries on their frictional properties becomes of central importance. Here, we elucidate the unique frictional mechanisms characterizing…
Theory of adsorption on a surface with nanolocal defects is proposed. Two efficacy parameters of surface modification for nanotechnological purposes are introduced, where the modification is a creation of nanolocal artificial defects. The…
Liquid adsorption in nanoporous materials induces their deformation due to strong capillary forces. The linear relationship between the liquid pressure and the solid strain (pore-load modulus) provides an experimental technique to determine…
Atomic Force Microscopy (AFM) is a suitable tool to perform tribological characterization of materials down to the nanometer scale. An important aspect in nanofriction measurements of corrugated samples is the local tilt of the surface,…
Frictional losses are responsible for significant energy waste in many practical applications, and superlubricity with a coefficient of friction lower than 0.01 is the goal of tribologists. In this paper, metal-on-polymer contact was…
Extensive Langevin dynamics simulations are used to characterize the adsorption transition of a flexible magnetic filament grafted onto an attractive planar surface. Our results identify different structural transitions at different ratios…