Related papers: Parameter-free dissipation in simulated sliding fr…
Recent model simulations discovered unexpected non-monotonic features in the wear-free dry phononic friction as a function of the sliding speed. Here we demonstrate that a rather straight- forward application of linear-response theory,…
Friction between ordered, atomically smooth surfaces at the nanoscale (nanofriction) is often governed by stick-slip processes. To test long-standing atomistic models of such processes, we implement a synthetic nanofriction interface…
Friction in atomistic systems is usually described by the classical Prandtl-Tomlinson model suitable for capturing the dragging force of a nanoparticle in a periodic potential. Here we consider the quantum mechanical version of this model…
We describe a 2D spring-block model for the transition from static to kinetic friction at an elastic slider/rigid substrate interface obeying a minimalistic friction law (Amontons-Coulomb). By using realistic boundary conditions, a number…
In the Langevin formalism, the delicate balance maintained between the fluctuations in the system and their corresponding dissipation may be upset by the presence of a secondary, space-dependent stochastic force, particularly in the low…
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…
We present a study of sliding friction for rigid triangular steel sliders on soft rubber substrates under both lubricated and dry conditions. For rubber surfaces lubricated with a thin film of silicone oil, the measured sliding friction at…
Using molecular dynamics based on Langevin equations with a coordinate- and velocity-dependent damping coefficient, we study the frictional properties of a thin layer of "soft" lubricant (where the interaction within the lubricant is weaker…
We study the convergence to equilibrium of an underdamped Langevin equation that is controlled by a linear feedback force. Specifically, we are interested in sampling the possibly multimodal invariant probability distribution of a Langevin…
We study a model of rolling particles subject to stochastic fluctuations, which may be relevant in systems of nano- or micro-scale particles where rolling is an approximation for strong static friction. We consider the simplest possible…
We investigate the motion of a colloidal particle driven out of equilibrium by an external torque. We use the molecular dynamics simulation that is alternative to the numerical integration approach based on the Langevin equation and is…
We present Molecular Dynamics simulations of one- and two-dimensional bead-spring models sliding on incommensurate substrates. We investigate how sliding friction is affected by interaction anharmonicity and structural defects. In their…
Sliding friction across a thin soft lubricant film typically occurs by stick-slip, the lubricant fully solidifying at stick, yielding and flowing at slip. The static friction force per unit area preceding slip is known from molecular…
Markov State Modeling has recently emerged as a key technique for analyzing rare events in thermal equilibrium molecular simulations and finding metastable states. Here we export this technique to the study of friction, where strongly…
We study the conformational dynamics within homo-polymer globules by solvent-implicit Brownian dynamics simulations. A strong dependence of the internal chain dynamics on the Lennard-Jones cohesion strength {\epsilon} and the globule size…
This paper generalizes existing approaches for free-surface wave damping via momentum sinks for flow simulations based on the Navier-Stokes equations. It is shown in 2D flow simulations that, to obtain reliable wave damping, the…
The effects of a displacive structural phase transition on sliding friction are in principle accessible to nanoscale tools such as the Atomic Force Microscopy, yet they are still surprisingly unexplored. We present model simulations…
We discuss the design of state-of-the-art numerical methods for molecular dynamics, focusing on the demands of soft matter simulation, where the purposes include sampling and dynamics calculations both in and out of equilibrium. We discuss…
A numerical method based upon the immersed boundary technique for the fluid-solid coupling and on a soft-sphere approach for solid-solid contact is used to perform direct numerical simulation of the flow-induced motion of a thick bed of…
In this work we study the diffusion mechanisms in lithium disilicate melt using molecular dynamics simulation, which has an edge over other simulation methods because it can track down actual atomic rearrangements in materials once a…