Related papers: Temperature Dependent Molecular Dynamic Simulation…
Atomic force microscopy cantilevers are often, intentionally or not, heated at their extremity. We describe a model to compute the resulting temperature field in the cantilever and in the surrounding fluid on a wide temperature range. In…
We present a theoretical study of the dynamics of a tip scanning a graphite surface as a function of the applied load. From the analysis of the lateral forces, we extract the friction force and the corrugation of the effective tip-surface…
A two-dimensional \underline{Frenkel-Kontorova model} under a steady external force is used to study the nonlinear sliding friction between flat macroscopic surfaces with a lubricant layer in between. The nonequilibrium properties of the…
One of the focuses of research and development towards the construction of a muon collider is muon beam preparation. Simulation of frictional cooling shows that it can achieve the desired emittance reduction to produce high-luminosity muon…
Contact friction is a key influence factor for the shearing behaviour of granular media. In the discrete element method (DEM) contact friction is usually modelled with Coulomb's law assuming a constant interparticle friction coefficient.…
We investigate atomic scale friction between clean graphite surfaces by using molecular dynamics. The simulation reproduces atomic scale stick-slip motion and low frictional coefficient, both of which are observed in experiments using…
By means of extensive equilibrium molecular dynamics simulations we have investigated, the behavior of the interfacial tension $\gamma$ of two immiscible symmetrical Lennard-Jones fluids. This quantity is studied as function of reduced…
While there are a number of models that tackle the problem of calculating friction forces on the atomic level, providing a completely parameter-free approach remains a challenge. Here we present a quasi-static model to obtain an…
We study the mechanical contact between a deformable body with a wavy surface and a rigid flat taking into account pressurized fluid trapped in the interface. A finite element model is formulated for a general problem of trapped fluid for…
Pressure and temperature dependence of the negative thermal expansion in Zn(CN)$_2$ is fully investigated using molecular dynamics simulations with a built potential model. The advantage of this study allows us to reproduce all the exotic…
Fluid dynamics simulations of melting and crater formation at the surface of a copper cathode exposed to high plasma heat fluxes and pressure gradients are presented. The predicted deformations of the free surface and the temperature…
Simulation of warm dense matter requires computational methods that capture both quantum and classical behavior efficiently under high-temperature, high-density conditions. Currently, density functional theory molecular dynamics is used to…
The dynamic behavior of AFM is studied taking into account the nonlinear interaction forces between probe and sample. The exerted forces on the free end of micro-beam are simulated with the third degree polynomial. The effect of some…
The impact of liquid drops on a rigid surface is central in cleaning, cooling and coating processes in both nature and industrial applications. However, it is not clear how details of pores, roughness and texture on the solid surface…
Simulated granular packings with different particle friction coefficient mu are examined. The distribution of the particle-particle and particle-wall normal and tangential contact forces P(f) are computed and compared with existing…
The thermodynamic behavior of calcium oxide (\ce{CaO}) under high temperature and pressure conditions is critical for understanding the physics of planetary interiors. This study employs molecular dynamics (MD) simulations, including both…
The aim of this article is to provide a complete analysis of the behavior of a noncontact atomic force microscope (NC-AFM). We start with a review of the equations of motion of a tip interacting with a surface in which the stability…
The results obtained from molecular dynamics simulations of the friction at an interface between polymer melts and weakly attractive crystalline surfaces are reported. We consider a coarse-grained bead-spring model of linear chains with…
We report on the frictional behaviour of thin poly(dimethylacrylamide) (PDMA) hydrogels films grafted on glass substrates in sliding contact with a glass spherical probe. Friction experiments are carried out at various velocities and…
We investigate the contributions of finite-temperature magnetic fluctuations to the thermodynamic properties of bcc Fe as a function of pressure. First, we apply a tight-binding total-energy model parameterized to first-principles…