In purely normal elastic rough surface contact problems, Persson's theory of contact shows that the evolution of the probability density function (PDF) of contact pressure with the magnification is governed by a diffusion equation. However, there is no partial differential equation describing the evolution of the PDF of the interfacial gap. In this study, we derive a convection--diffusion equation in terms of the PDF of the interfacial gap based on stochastic process theory, as well as the initial and boundary conditions. A finite difference method is developed to numerically solve the partial differential equation. The predicted PDF of the interfacial gap agrees well with that by Green's Function Molecular Dynamics (GFMD) and other variants of Persson's theory of contact at high load ranges. At low load ranges, the obvious deviation between the present work and GFMD is attributed to the overestimated mean interfacial gap and oversimplified magnification-dependent diffusion coefficient used in the present model. As one of its direct application, we show that the present work can effectively solve the adhesive contact problem under the DMT limit. The current study provides an alternative methodology for determining the PDF of the interfacial gap and a unified framework for solving the complementary problem of random contact pressure and random interfacial gap based on stochastic process theory.
In this supplementary materials section, we provide (i) additional information on the numerical simulations of the main work, (ii) the derivation of all prefactors in the analytical theory, and (iii) unpublished experiments of the contact stiffness of a polymer pressed against a rough substrate.
We study the distribution of interfacial separations P(u) at the contact region between two elastic solids with randomly rough surfaces. An analytical expression is derived for P(u) using Persson's theory of contact mechanics, and is compared to numerical solutions obtained using (a) a half-space method based on the Boussinesq equation, (b) a Green's function molecular dynamics technique and (c) smart-block classical molecular dynamics. Overall, we find good agreement between all the different approaches.
We study the average separation between an elastic solid and a hard solid with a nominal flat but randomly rough surface, as a function of the squeezing pressure. We present experimental results for a silicon rubber (PDMS) block with a flat surface squeezed against an asphalt road surface. The theory shows that an effective repulse pressure act between the surfaces of the form p proportional to exp(-u/u0), where u is the average separation between the surfaces and u0 a constant of order the root-mean-square roughness, in good agreement with the experimental results.
Adhesion between two bodies is a key parameter in wear processes. At the macroscale, strong adhesive bonds are known to lead to high wear rates, as observed in clean metal-on-metal contact. Reducing the strength of the interfacial adhesion is then desirable, and techniques such as lubrication and surface passivation are employed to this end. Still, little is known about the influence of adhesion on the microscopic processes of wear. In particular, the effects of interfacial adhesion on the wear particle size and on the surface roughness evolution are not clear, and are therefore addressed here…
The total elastic stiffness of two contacting bodies with a microscopically rough interface has an interfacial contribution K that is entirely attributable to surface roughness. A quantitative understanding of K is important because it can dominate the total mechanical response and because it is proportional to the interfacial contributions to electrical and thermal conductivity in continuum theory. Numerical simulations of the dependence of K on the applied squeezing pressure p are presented for nominally flat elastic solids with a range of surface roughnesses. Over a wide range of p, K rises…
The effective solid liquid interfacial tension (SL IFT) between pure liquids and rough solid surfaces is studied through coarse grained simulations. Using the dissipative particle dynamics method, we design solid liquid interfaces, confining a pure liquid between two explicit solid surfaces with different roughness degrees. The roughness of the solid phase was characterized by Wenzel roughness factor and the effective SL IFT (γ_sl^') is reported as a function of it also. Two solid liquid systems differentiated from each other by their solid liquid repulsion strength are studied to measure the …
I discuss fluid flow at the interface between solids with anisotropic roughness. I show that for randomly rough surfaces with anisotropic roughness, the contact area percolate at the same relative contact area as for isotropic roughness, and that the Bruggeman effective medium theory and the critical junction theory give nearly the same results for the fluid flow conductivity. This shows that, in most cases, the surface roughness observed at high magnification is irrelevant for fluid flow problems such as the leakage of static seals, and fluid squeeze-out.
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 surfaces is compared with the predictions of the contact mechanics theory by Persson. Theoretical and simulation results agree rather well, and most of the differences observed can be attributed to finite size effects and to the long-range nature of the interaction between the atoms in the block and the substrate in the MD model, as compared to the analytical the…
We investigate the effects of image charges, interfacial charge discreteness, and surface roughness on spherical electric double layers in electrolyte solutions with divalent counter-ions in the setting of the primitive model. By using Monte Carlo simulations and the image charge method, the zeta potential profile and the integrated charge distribution function are computed for varying surface charge strengths and salt concentrations. Systematic comparisons were carried out between three distinct models for interfacial charges: 1) SURF1 with uniform surface charges, 2) SURF2 with discrete poin…
I study the contact between a rigid solid with a randomly rough surface and an elastic block with a flat surface. I derive a relation between the (average) interfacial separation $u$ and the applied normal squeezing pressure $p$. I show that for non-adhesive inte raction and small applied pressure, p is proportional to exp (-u/u_0), in good agreement with recent experimental observation.
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 the MD results for the relative contact area and the average interfacial separation, with the prediction of the contact mechanics theory of Persson. We find good agreement between theory and the simulation results. We apply the theory to the system studied by Benz et al. involving polymer in contact with polymer, but in this case the adhesion gives only a sma…
We report a molecular dynamics study of the contact between a rigid solid with a randomly rough surface and an elastic block with a flat surface. We study the contact area and the interfacial separation from small contact (low load) to full contact (high load). For small load the contact area varies linearly with the load and the interfacial separation depends logarithmically on the load. For high load the contact area approaches to the nominal contact area (i.e., complete contact), and the interfacial separation approaches to zero. The present results may be very important for soft solids, e.…
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 from small contact (low load) to full contact (high load). For small load the contact area varies linearly with the load and the interfacial separation depends logarithmically on the load. For high load the contact area approaches the nominal contact area (i.e., complete contact), and the interfacial separation approaches zero. The numerical results have been …
We study the time dependency of the (average) interfacial separation between an elastic solid with a flat surface and a rigid solid with a randomly rough surface, squeezed together in a fluid. We use an analytical theory describing the fluid flow factors, based on the Persson contact mechanics theory and the Bruggeman effective medium theory, to calculate the removal of the fluid from the contacting interface of the two solids. In order to test this approach, we have performed simple squeeze-out experiments. The experimental results are compared to the theory predictions.
We generalize the Persson contact mechanics and rubber friction theory to the case where both surfaces have surface roughness. The solids can be rigid, elastic or viscoelastic, and can be homogeneous or layered. We calculate the contact area, the viscoelastic contribution to the friction force, and the average interfacial separation as a function of the sliding speed and the nominal contact pressure. We illustrate the theory with numerical results for a rubber block sliding on a road surface. We find that with increasing sliding speed, the influence of the roughness on the rubber block decreas…
Interfacial hydrodynamic slippage of water depends on both on surface chemistry and roughness. This study tries to connect the effect of chemical property and the physical structure of the surface on the interfacial slippage of water. By performing molecular dynamics simulations (MDS) of Couette flow of water molecules over a reduced Lennard-Jones (LJ) surface, the velocity profile is obtained and extrapolated to get the slip lengths. The slip lengths are measured for various surface-fluid interactions. These interactions are varied by changing the wettability of the surface (characterized by …
The description of elastic, nonadhesive contacts between solids with self-affine surface roughness seems to necessitate knowledge of a large number of parameters. However, few parameters suffice to determine many important interfacial properties as we show by combining dimensional analysis with numerical simulations. This insight is used to deduce the pressure dependence of the relative contact area and the mean interfacial separation $Δ\bar{u}$ and to present the results in a compact form. Given a proper unit choice for pressure $p$, i.e., effective modulus $E^*$ times the root-mean-square gr…
Field-theoretical approach to estimate mean gap and gap distribution in randomly rough surface contact mechanics
Yangzhou University（扬州大学）；Institute of Mechanics, Chinese Academy of Sciences（中国科学院力学研究所）；University of Chinese Academy of Sciences（中国科学院大学）；Hefei University of Technology（合肥工业大学）
Nematic liquid crystals at rough and fluctuating interfaces are analyzed within the Frank elastic theory and the Landau-de Gennes theory. We study specifically interfaces that locally favor planar anchoring. In the first part we reconsider the phenomenon of Berreman anchoring on fixed rough surfaces, and derive new simple expressions for the corresponding azimuthal anchoring energy. Surprisingly, we find that for strongly aligning surfaces, it depends only on the geometrical surface anisotropy and the bulk elastic constants, and not on the precise values of the chemical surface parameters. In …
I study fluid flow at the interface between elastic solids with randomly rough surfaces. I use the contact mechanics model of Persson to take into account the elastic interaction between the solid walls and the Bruggeman effective medium theory to account for the influence of the disorder on the fluid flow. I calculate the flow tensor which determines the pressure flow factor and, e.g., the leak-rate of static seals. I show how the perturbation treatment of Tripp can be extended to arbitrary order in the ratio between the root-mean-square roughness amplitude and the average interfacial surface…
We study the heat transfer between elastic solids with randomly rough surfaces. We include both the heat transfer from the area of real contact, and the heat transfer between the surfaces in the noncontact regions. We apply a recently developed contact mechanics theory, which accounts for the hierarchical nature of the contact between solids with roughness on many different length scales. For elastic contact, at the highest (atomic) resolution the area of real contact typically consists of atomic (nanometer) sized regions, and we discuss the implications of this for the heat transfer. For soli…
I study how the contact area and the work of adhesion, between two elastic solids with randomly rough surfaces, depend on the relative humidity. The surfaces are assumed to be hydrophilic, and capillary bridges form at the interface between the solids. For elastically hard solids with relative smooth surfaces, the area of real contact and therefore also the sliding friction, are maximal when there is just enough liquid to fill out the interfacial space between the solids, which typically occurs for $d_{\rm K} \approx 3 h_{\rm rms}$, where $d_{\rm K}$ is the height of the capillary bridge and $…
The wetting properties of solid substrates with customary (i.e., macroscopic) random roughness are considered as a function of the microscopic contact angle of the wetting liquid and its partial pressure in the surrounding gas phase. Analytic expressions are derived which allow for any given lateral correlation function and height distribution of the roughness to calculate the wetting phase diagram, the adsorption isotherms, and to locate the percolation transition in the adsorbed liquid film. Most features turn out to depend only on a few key parameters of the roughness, which can be clearly …
We introduce an accurate and efficient method for characterizing surface wetting and interfacial properties, such as the contact angle made by a liquid droplet on a solid surface, and the vapor-liquid surface tension of a fluid. The method makes use of molecular simulations in conjunction with the indirect umbrella sampling technique to systematically wet the surface and estimate the corresponding free energy. To illustrate the method, we study the wetting of a family of Lennard-Jones surfaces by water. We estimate contact angles for surfaces with a wide range of attractions for water by using…
Dynamic wetting plays an important role in the physics of multiphase flow, and has significant influence on many industrial and geotechnical applications. In this work, a modified smoothed particle hydrodynamics (SPH) model is employed to simulate surface tension, contact angle, and dynamic wetting effects. The wetting and dewetting phenomena are simulated in a capillary tube, where the liquid particles are raised or withdrawn by a shifting substrate. The SPH model is modified by introducing a newly-developed viscous force formulation at liquid-solid interface to reproduce the rate-dependent b…
We use molecular simulations to study the nonadhesive and adhesive atomic-scale contact of rough spheres with radii ranging from nanometers to micrometers over more than ten orders of magnitude in applied normal load. At the lowest loads, the interfacial mechanics is governed by the contact mechanics of the first asperity that touches. The dependence of contact area on normal force becomes linear at intermediate loads and crosses over to Hertzian at the largest loads. By combining theories for the limiting cases of nominally flat rough surfaces and smooth spheres, we provide parameter-free ana…
We present an experimental investigation of the non stationary frictional properties of multicontact interfaces between rough elastomers and rough hard glass at low velocities (<= 200 mu m s^{-1}). These systems, for which the deformation contribution to friction is negligible, are shown to exhibit a phenomenology which is similar to what is observed for non elastomeric materials in the same multi-contact configuration, and which are quantitatively described by the state- and rate-dependent friction laws. This permits to identify clearly the two contributions to adhesive friction which are mix…
The free energetics of water density fluctuations near a surface, and the rare low-density fluctuations in particular, serve as reliable indicators of surface hydrophobicity; the easier it is to displace the interfacial waters, the more hydrophobic the underlying surface. However, characterizing the free energetics of such rare fluctuations requires computationally expensive, non-Boltzmann sampling methods like umbrella sampling. This inherent computational expense associated with umbrella sampling makes it challenging to investigate the role of polarizability or electronic structure effects i…
We use molecular dynamics computer simulations and nuclear magnetic resonance experiments to investigate the dynamics of water at interfaces of molecular roughness and low mobility. We find that, when approaching such interfaces, the structural relaxation of water, i.e., the $α$ process, slows down even when specific attractive interactions are absent. This prominent effect is accompanied by a smooth transition from Vogel to Arrhenius temperature dependence and by a growing importance of jump events. Consistently, at protein surfaces, deviations from Arrhenius behavior are weak when free water…
We study the frictional behavior of both elastic and viscoelastic thin coatings bonded to a seemingly rigid substrate and sliding against a rough profile in the presence of Coulomb friction at the interface. The aim is to explore the effect of the coupling between the normal and tangential displacement fields arising from the finiteness of the material thickness and to quantify the contribution this can have on energy losses. We found that, due to normal-tangential coupling, asymmetric contacts and consequently additional friction are observed even for purely elastic layers, indeed associated …
We present a newly developed approach for the calculation of interfacial stiffness and contact area evolution between two rough bodies exhibiting self affine surface structures. Using spline assisted discretization to define localised contact normals and surface curvatures we interpret the mechanics of simulated non-adhesive elastic surface-profiles subjected to normal loading by examining discrete contact points as projected Hertzian spheres. The analysis of rough-to-rough contact mechanics for surface profiles exhibiting fractal structures, with fractal dimensions in the regime 1 2, reveals …
The Boltzmann equation for inelastic and rough hard spheres is considered as a model of a dilute granular gas. In this model, the collisions are characterized by constant coefficients of normal and tangential restitution and hence the translational and rotational degrees of freedom are coupled. A normal solution to the Boltzmann equation is obtained by means of the Chapman-Enskog method for states near the homogeneous cooling state. The analysis is carried out to first order in the spatial gradients of the number density, the flow velocity, and the granular temperature. The constitutive equati…
