Related papers: Molecular Dynamics Simulation of Friction in Xenon…
Molecular dynamics simulations of a Xe monolayer sliding on Ag(001) and Ag(111) are carried out in order to ascertain the microscopic origin of friction. For several values of the electronic contribution to the friction of individual Xe…
The effects of a step defect and a random array of point defects (such as vacancies or substitutional impurities) on the force of friction acting on a xenon monolayer film as it slides on a silver (111) substrate are studied by molecular…
We use molecular dynamics simulations to study the frictional response of the anionic surfactant sodium dodecyl sulfate (SDS) monolayers and hemicylindrical aggregates physisorbed on gold. Our simulations of a sliding spherical asperity…
We investigate the nanoscale friction behaviour of MX2 monolayers (M = Mo, W; X = S, Se) on Au(111) and Ag(111) substrates with a silicon tip using classical molecular dynamics simulations with machine-learning-based force fields. This…
Molecular dynamics study of a thin (one to five layers) lubricant film between two substrates in moving contact are performed using Langevin equations with an external damping coefficient depending on distance and velocity of atoms relative…
There is a growing interest since the 1990s to understand the squeezing and shear behaviors of liquid films at nanometer scale by the atomic force microscope (AFM) measurement. We carry out all-atom contact-mode AFM simulations in a…
Molecular dynamics simulations are used to study contact between a rigid, nonadhesive, spherical tip with radius of order 30nm and a flat elastic substrate covered with a fluid monolayer of adsorbed chain molecules. Previous studies of bare…
Molecular dynamics simulations are carried out to investigate the dynamic behavior of the slip length in thin polymer films confined between atomically smooth thermal surfaces. For weak wall-fluid interactions, the shear rate dependence of…
We run molecular dynamics simulations of folded graphene sheets and present a procedure to measure the sliding friction in these systems based on the rate of decay of a damped-harmonic oscillator. This procedure allowed us to study the…
The molecular mechanism of slip at the interface between polymer melts and weakly attractive smooth surfaces is investigated using molecular dynamics simulations. In agreement with our previous studies on slip flow of shear-thinning fluids,…
We present the results of large scale molecular dynamics simulations aimed at understanding the origins of high friction coefficients in pure metals, and their concomitant reduction in alloys and composites. We utilize a series of targeted…
Friction force acting on silver and nickel nanoparticles sheared on a graphene sheet in different lateral directions is investigated using classical molecular dynamics simulations. The results reveal the existence of frictional anisotropy…
We develop the theory for stick-slip motion in ultra-thin liquid films confined between two moving atomically-flat surfaces. Our model is based on hydrodynamic equation for the flow coupled to the dynamic order parameter field describing…
The friction of a nanosized sphere in commensurate contact with a flat substrate is investigated by performing molecular dynamics simulations. Particular focus is on the distribution of shear stress within the contact region. It is noticed…
We performed molecular dynamics (MD) experiments to explore dry sliding friction at the nanoscale. We used the setup comprised of a spherical particle built up of 32,000 aluminium atoms, resting on a semi-space with a free surface, modelled…
Recent nanofriction experiments of xenon on graphene revealed that the slip onset can be induced by increasing the adsorbate coverage above a critical value, which depends on temperature. Moreover, the xenon slippage on gold is much higher…
The fundamental understanding of friction of liquids on solid surfaces remains one of the key knowledge gaps in the transport of fluids. While the standard perspective emphasizes the role of wettability and commensurability, recent works…
Molecular dynamics simulations have been performed to study frictional slip and its influence on energy dissipation and momentum transfer at atomically smooth solid/water interfaces. By modifying surface chemistry, we investigate the…
All-atom molecular dynamics simulations of an elastohydrodynamic lubrication oil film are performed to study the effect of pressure. Fluid molecules of n-hexane are confined between two solid plates under a constant normal force of 0.1--8.0…
Hydrocarbon films confined between smooth mica surfaces have long provided an experimental playground for model studies of structure and dynamics of confined liquids. However fundamental questions regarding the phase behavior and shear…