Related papers: Does Rotational Melting Make Molecular Crystal Sur…
Carbon nanotubes (CNTs) are well known for their exceptional thermal, mechanical and electrical properties. For many CNT applications it is of the foremost importance to know their frictional properties. However, very little is known about…
Soft materials are ubiquitous in technological applications that require deformability, for instance, in flexible, water-repellent coatings. However, the wetting properties of pre-strained soft materials are only beginning to be explored.…
Molecular dynamics simulations are performed to study the [100] and [111] orientations of the crystal-melt interface between an ordered two-component hard sphere with a NaCl structure and its coexisting binary hard-sphere fluid. The…
Under certain experimental conditions, the deposition of C60 molecules onto an atomically flat copper surface gives rise to the formation of corrugated islands. This corrugation, which reflects a molecular displacement perpendicular to the…
Nacre is a layered, iridescent lining found inside many mollusk shells, with a unique brick-and-mortar periodic structure at the sub-micron scale, and remarkable resistance to fracture. Despite extensive studies, it remains unclear how…
We report a study of the rotational dynamics in double-walled nanotubes using molecular dynamics simulations and a simple analytical model reproducing very well the observations. We show that the dynamic friction is linear in the angular…
Structural superlubricity is an intriguing physical phenomenon, whereby sliding at a structurally incommensurate, atomically flat interface yields vanishingly small friction forces. Despite its recent experimental validation, critical…
Mixing two chemical elements at the surface of a substrate is known to produce rich phase diagrams of surface alloys. Here, we extend the concept of surface alloying to the case where the two constituent elements are not both atoms, but…
Frictional properties of contacts between a smooth viscoelastic rubber and rigid surfaces are investigated using a torsional contact configuration where a glass lens is continuously rotated on the rubber surface. From the inversion of the…
An overview of computer simulations of tribology is presented. The chapter begins with a brief overview of simulation techniques and the special requirements for simulations of tribological processes. Then simple one-dimensional models of…
We study the rolling motion of a small solid sphere on a surface patterned rubber substrate in an external field with and without a noise. In the absence of the noise, the ball does not move below a threshold force above which it…
Nanoparticles with different surface morphologies that straddle the interface between two immiscible liquids are studied via molecular dynamics simulations. The methodology employed allows us to compute the interfacial free energy at…
This work reports an investigation into the solid phase behavior and melting behavior of tetracosane (C24H50) monolayers and bilayers physisorbed onto the graphite basal plane using molecular dynamics simulations performed in the constant…
We study the outflow of soft particles through quasi-two-dimensional hoppers with both experiments and simulations. The experiments utilize spheres made with soft hydrogel, silicon rubber and glass. The hopper chamber has an adjustable exit…
Molecular dynamics simulations on tensile deformation of initially defect free single crystal copper nanowire oriented in <001>{100} has been carried out at 10 K under adiabatic and isothermal loading conditions. The tensile behaviour was…
Starch solutions, which are strongly non-Newtonian, show a surface instability, when subjected to a load. A droplet of the fluid is sandwiched between two glass plates and a weight varying from 1 to 5 kgs. is placed on the top plate. The…
When adhesive elastomeric materials slide over hard rough surfaces at low velocities, there are two primary dissipative mechanisms that control how friction changes with sliding velocity: viscoelastic dissipation and adhesive dissipation.…
We report results of long timescale adaptive kinetic Monte Carlo simulations aimed at identifying possible molecular reordering processes on both proton-disordered and ordered (Fletcher) basal plane (0001) surfaces of hexagonal ice. The…
Molecular crystals are a flexible platform to induce novel electronic phases. Due to the weak forces between molecules, intermolecular distances can be varied over relatively larger ranges than interatomic distances in atomic crystals. On…
We perform molecular dynamics simulations of an idealized polymer melt surrounding a nanoscopic filler particle to probe the effects of a filler on the local melt structure and dynamics. We show that the glass transition temperature $T_g$…