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The adhesive contact between elastic solids with randomly rough, self affine fractal surfaces is studied by molecular dynamics (MD) simulations. The interfacial binding energy obtained from the simulations of nominally flat and curved…

Soft Condensed Matter · Physics 2011-12-23 N. Mulakaluri , B. N. J. Persson

We study the adhesive contact between elastic solids with randomly rough, self affine fractal surfaces. We present molecular dynamics (MD) simulation results for the interfacial stress distribution and the wall-wall separation. We compare…

Soft Condensed Matter · Physics 2009-11-13 C. Yang , B. N. J. Persson , J. Israelachvili , K. Rosenberg

The use of molecular dynamics (MD) simulations has led to promising results to unravel the atomistic origins of adhesive wear, and in particular for the onset of wear at nanoscale surface asperities. However, MD simulations come with a high…

Soft Condensed Matter · Physics 2022-06-29 Son Pham-Ba , Jean-François Molinari

The friction and adhesion between elastic bodies are strongly influenced by the roughness of the surfaces in contact. Here we develop a multiscale molecular dynamics approach to contact mechanics, which can be used also when the surfaces…

Soft Condensed Matter · Physics 2007-05-23 C. Yang , U. Tartaglino , B. N. J. Persson

In this paper, we propose a numerical model to describe the adhesive normal contact between a "rigid" spherical indenter and a viscoelastic rough substrate. The model accounts for dissipative process under the assumption that viscoelastic…

Soft Condensed Matter · Physics 2020-12-15 Guido Violano , Antoine Chateauminois , Luciano Afferrante

Hypothesis: Understanding contact angle hysteresis on rough surfaces is important as most industrially relevant and naturally occurring surfaces possess some form of random or structured roughness. We hypothesise that hysteresis originates…

Fluid Dynamics · Physics 2023-08-11 Pawan Kumar , Paul Mulvaney , Dalton J. E. Harvie

The wetting behaviour of surfaces is important for various applications like super-hydrophobic surfaces, enhanced oil recovery, mining of metal ores and anti-icing surfaces etc. For rough surfaces, which are the rule rather than the…

Fluid Dynamics · Physics 2023-03-17 Pawan Kumar , Dalton J. E. Harvie

A macroscopically nominal flat surface is rough at the nanoscale level and consists of nanoasperities. Therefore, the frictional properties of the macroscale-level rough surface are determined by the mechanical behaviors of nanoasperity…

Mesoscale and Nanoscale Physics · Physics 2020-11-05 jianqiao Hu , Hengxu Song , Stefan Sandfeld , Xiaoming Liu , Yueguang Wei

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…

Materials Science · Physics 2009-11-07 C. Daly , J. Zhang , J. B. Sokoloff

Dissipative particle dynamics (DPD) is a well-established mesoscale simulation method. However, there have been long-standing ambiguities regarding the dependence of its (purely repulsive) force field parameter on temperature as well as the…

Chemical Physics · Physics 2019-02-25 Peter Vanya , Jonathan Sharman , James A. Elliott

The stability of possible termination structures for the (010) surface of forsterite, $ Mg_2SiO_4 $, is studied using a density functional theory (DFT) based thermodynamic approach. The DFT calculations are used to estimate the surface…

Chemical Physics · Physics 2019-04-15 Ming Geng , Hannes Jónsson

Droplet motion over a surface with wettability gradient has been simulated using molecular dynamics (MD) simulation to highlight the underlying physics. GROMACS and Visual Molecular Dynamics (VMD) were used for simulation and intermittent…

Fluid Dynamics · Physics 2015-04-13 Monojit Chakraborty , Anamika Chowdhury , Richa Bhusan , Sunando DasGupta

Viscoelasticity and rate-dependent adhesion of soft matter lead to difficulties in modeling the 'relatively simple' problem of a rigid sphere in contact with a viscoelastic half-space. For this reason, approximations in describing surface…

Soft Condensed Matter · Physics 2021-12-08 Luciano Afferrante , Guido Violano

Friction in static and sliding contact of rough surfaces is important in numerous physical phenomena. We seek to understand macroscopically observed static and sliding contact behavior as the collective response of a large number of…

Soft Condensed Matter · Physics 2018-11-12 Srivatsan Hulikal , Nadia Lapusta , Kaushik Bhattacharya

The pressure and the viscosity in two-dimensional sheared granular assemblies are investigated numerically. The behavior of both pressure and viscosity is smoothly changing qualitatively when starting from a mono-disperse hard-disk system…

Statistical Mechanics · Physics 2010-07-20 Michio Otsuki , Hisao Hayakawa , Stefan Luding

The static friction between crystalline surfaces separated by a molecularly thin layer of adsorbed molecules is calculated using molecular dynamics simulations. These molecules naturally lead to a finite static friction that is consistent…

Materials Science · Physics 2009-11-07 Gang He , Mark O. Robbins

A simulation model is presented, comprising elastic spheres with a short range attraction. Besides conservative forces, radial- and shear friction, and radial noise are added. The model can be used to simulate colloids, granular solids and…

Soft Condensed Matter · Physics 2008-11-19 Robert D. Groot , Simeon D. Stoyanov

Dynamic fragmentation simulations are essential for predicting material response at high strain rates, yet explicit dynamic simulations that combine an extrinsic cohesive-zone model (CZM) with penalty-based contact often exhibit severe…

Computational Physics · Physics 2025-11-19 Thibault Ghesquière-Diérickx , Jean-François Molinari , Guillaume Anciaux

We perform the analysis of predictions of a classical density functional theory for associating fluids with different association strength concerned with wetting of solid surfaces. The four associating sites water-like models with…

Soft Condensed Matter · Physics 2024-04-01 A. Kozina , M. Aguilar , O. Pizio , S. Sokołowski

The particle contact model is important for powder simulations. Although several contact models have been proposed, their validity has not yet been well established. Therefore, we perform molecular dynamics (MD) simulations to clarify the…

Soft Condensed Matter · Physics 2024-08-09 Yuki Yoshida , Eiichiro Kokubo , Hidekazu Tanaka
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