相关论文: Temperature Dependent Molecular Dynamic Simulation…

Thermo-osmotic slip -- the flow induced by a thermal gradient along a surface -- is a well-known phenomenon, but curiously there is a lack of robust molecular-simulation techniques to predict its magnitude. Here, we compare three different…

We study the sliding friction for viscoelastic solids, e.g., rubber, on hard flat substrate surfaces. We consider first the fluctuating shear stress inside a viscoelastic solid which results from the thermal motion of the atoms or molecules…

This study investigates the torsional mechanical properties of pristine iron (Fe) and carbon-doped iron (FeC) nanowires with [001] orientation through molecular dynamics simulations utilizing the Modified Embedded Atom Method (MEAM)…

We investigate the role of surface plasmons in the electromagnetic Casimir effect at finite temperature, including situations out of global thermal equilibrium. The free energy is calculated analytically and expanded for different regimes…

We propose a theoretical model of friction under electrochemical conditions focusing on the interaction of a force microscope tip with adsorbed polar molecules of which the orientation depends on the applied electric field. We demonstrate…

Using an adiabatic approximation method, which searches for Tomlinson model-like instabilities for a simple but still realistic model for two crystalline surfaces in the extremely light contact limit, with mobile molecules present at the…

Atoms or pairs of ions picked up by probe tips used in dynamic force microscopy (DFM) can be strongly displaced and even hop discontinuously upon approach to the sample surface. The energy barriers for some of those hops are of the right…

Using a tight-binding atomistic simulation, we simulate the recent atomic-force microscopy experiments probing the slipperiness of graphene flakes made slide against a graphite surface. Compared to previous theoretical models, where the…

We examine, using molecular dynamics simulation, the structure and thermodynamics of the (100) and (111) disordered face-centered cubic (FCC) crystal/melt interfaces for a binary hard-sphere system. This study is an extension of our…

We construct a simple thermodynamic model to describe the melting of a supported metal nanoparticle with a spherically curved free surface both with and without surface melting. We use the model to investigate the results of recent…

We present a molecular dynamics study of the contact between a rigid solid with a randomly rough surface and an elastic block with a flat surface. The numerical calculations mainly focus on the contact area and the interfacial separation…

Friction modulation allows for a range of different sensations and textures to be simulated on flat touchscreens, yet is largely unable to render fundamental tactile interactions such as path following or shape discrimination due to lack of…

Since it is difficult to apply the existing method of friction and heat flux decomposition on the complex surface, a combined decomposition method of friction and heat flux with clear physical interpretation is proposed, which is based on…

This study addresses the influence of internal liquid dynamics on liquid-solid friction. Taking advantage of the wide range of relaxation timescales in supercooled liquids, we use a tuning-fork-based AFM to measure the slippage of…

Atomistic simulations using an EAM potential are carried out to investigate the first stages of plasticity in aluminum slabs, in particular the effect of both temperature and step geometry on the nucleation of dislocations from surface…

Diamond-based coatings are employed in several technological applications, for their outstanding mechanical properties, biocompatibility, and chemical stability. Of significant relevance is the interface with silicon oxide, where phenomena…

Using molecular dynamics computer simulations we investigate the aging dynamics of a gel. We start from a fractal structure generated by the DLCA-DEF algorithm, onto which we then impose an interaction potential consisting of a short-range…

We present results of molecular dynamics (MD) simulations for a non-entangled polymer melt confined between two completely smooth and repulsive walls, interacting with inner particles via the potential $U_{\rm wall}\myeq (\sigma/z)^9$,…

We consider the simulation of finite temperature QCD with two flavors of dynamical overlap fermions in order to study the suppression of the axial U(1) symmetry breaking at the chiral phase transition point. As a preliminary study, pure…

We present classical molecular dynamics calculations of the behavior of copper and gold nanoparticles on a graphene sheet, sheared with a constant applied force $F_{\rm a}$. The force $F_{\rm s}$ acting on the particle from the substrate…