We study the role of electronegativity in sliding friction for five different two dimensional (2D) monolayer systems using density functional theory (DFT) with van der Waals (vdW) corrections. We show that the friction between the commensurate 2D layered systems depends strongly on the electronegativity difference of the involved atoms. All the 2D layered structures exhibit almost the same magnitude of friction force when sliding along the nonpolar path, independent of the material and the surface structures. In contrast, for sliding friction along the polar path, the friction force obeys a universal linear scaling law as a function of the electronegativity difference of its constituent atoms. Further analyses demonstrate that atomic dipoles in the 2D monolayers induced by the electronegativity difference enhance the corrugation of charge distribution and increase the sliding barrier accordingly. Our studies reveal that electronegativity plays an important role in friction of low dimensional systems, and will provide a strategy for designing nanoscale devices further.
A sudden drop in mechanical friction, between an adsorbed nitrogen monolayer and a lead substrate, occurs when the lead passes through the superconducting transition temperature. We attribute this effect to a sudden drop at the superconducting transition temperature of the substrate Ohmic heating. The Ohmic heating is due to the electronic screening current that results from the sliding adsorbed film.
The frictional properties of individual carbon nanotubes (CNTs) are studied by sliding an atomic force microscopy tip across and along its principle axis. This direction-dependent frictional behavior is found to correlate strongly with the presence of structural defects, surface chemistry, and CNT chirality. This study shows that it is experimentally possible to tune the frictional/adhesion properties of a CNT by controlling the CNT structure and surface chemistry, as well as use friction force to predict its structural and chemical properties.
Accelerated molecular dynamics (MD) simulations are implemented to model the sliding process of AFM experiments at speeds close to those found in experiment. In this study the hyperdynamics method, originally devised to extend MD time scales for non-driven systems, is applied to the frictional sliding system. This technique is combined with a parallel algorithm that simultaneously simulates the system over a range of slider positions. The new methodologies are tested using 2-dimensional and 3-dimensional Lennard-Jones AFM models. Direct comparison with the results from conventional MD shows cl…
The frictional properties of individual multiwalled boron nitride nanotubes (BN-NTs) synthesized by chemical vapor deposition (CVD) and deposited on a silicon substrate are investigated using an atomic force microscope tip sliding along (longitudinal sliding) and across (transverse sliding) the tube's principal axis. Because of the tube transverse deformations during the tip sliding, a larger friction coefficient is found for the transverse sliding as compared to the longitudinal sliding. Here, we show that the friction anisotropy in BN-NTs, defined as the ratio between transverse and longitud…
The sliding friction of a dimer moving over a periodic substrate and subjected to an external force is studied in the steady state for arbitrary temperatures within a one-dimensional model. Nonlinear phenomena that emerge include dynamic bistability and hysteresis, and can be related to earlier observations for extended systems such as the Frenkel-Kontorova model. Several observed features can be satisfactorily explained in terms of the resonance of a driven-damped nonlinear oscillator. Increasing temperature tends to lower the resonant peak and wash out the hysteresis.
This paper examines friction as a function of the sliding velocity and applied normal load from air to UHV in a scanning force microscope (SFM) experiment in which a sharp silicon tip slides against a flat Si(100) sample. Under ambient conditions, both surfaces are covered by a native oxide, which is hydrophilic. During pump-down in the vacuum chamber housing the SFM, the behavior of friction as a function of the applied normal load and the sliding velocity undergoes a change. By analyzing these changes it is possible to identify three distinct friction regimes with corresponding contact prope…
We have devised an original laboratory experiment where we investigate the frictional behaviour of a single crystal salt slider over a large number of deformation cycles. Because of its physical properties, salt, a surrogate for natural faults, allows for friction and plastic deformation and pressure solution creep to be efficient on the same timescale. During the same experiment, we observe a continuous change of the frictional behaviour of the slider under constant conditions of stiffness, temperature and loading velocity. The stick-slip regime is progressively vanishing, eventually reaching…
In this present work, friction and wear behavior of UNCD thin film has been studied against three different sliding counterbodies i.e. Al2O3, SiC and steel balls. UNCD/steel sliding pair showed high friction coefficient in the beginning of the sliding process which decreased to the lower value after longer sliding passes. This behavior might be explained by oxidation mechanism. However, high friction value was observed in the case of UNCD/SiC and this was attributed to strong adhesive force acting across the sliding interfaces. Stable and low friction value was measured in UNCD/Al2O3 sliding c…
We study the frictional sliding of two ideally incommensurate surfaces with a third incommensurate sheet - a sort of extended lubricant - in between. When the mutual ratios of the three periodicities in this sandwich geometry are chosen to be the golden mean ϕ=(1+\sqrt 5)/2, this system is believed to be statically pinned for any choice of system parameters. In the present study we overcome this pinning and force the two "substrates" to slide with a mutual velocity V_ext, analyzing the resulting frictional dynamics. An unexpected feature is an asymmetry of the relative sliding velocity of the …
The pioneer work of Krim and Widom unveiled the origin of the viscous nature of friction at the atomic scale. This generated extensive experimental and theoretical activity. However, fundamental questions remain open like the relation between sliding friction and the topology of the substrate, as well as the dependence on the temperature of the contact surface. Here we present results, obtained using molecular dynamics, for the phononic friction coefficient ($η_{ph}$) for a one dimensional model of an adsorbate-substrate interface. Different commensuration relations between adsorbate and subst…
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 absence, we confirm earlier findings, namely, that at special resonance sliding velocities, friction is maximal. When sliding off-resonance, partially thermalized states are possible, whereby only a small number of vibrational modes becomes excited, but whose kinetic energies are already Maxwell-Boltzmann distributed. Anharmonicity and defects typically destroy…
The paper presents a model for low friction made up of a self-excited oscillator sliding along a periodic potential. It is shown that if the self-excitation affects a body sliding tangentially to a surface, than stick-slip modification and reduction of energy dissipation during the motion are observed.
One of the most fundamental questions in tribology concerns the area dependence of friction at the nanoscale. Here, experiments are presented where the frictional resistance of nanoparticles is measured by pushing them with the tip of an atomic force microscope. We find two coexisting frictional states: While some particles show finite friction increasing linearly with the interface areas of up to 310,000nm^2, other particles assume a state of frictionless sliding. The results further suggest a link between the degree of surface contamination and the occurrence of this duality.
By using ab-initio-accurate force fields and molecular dynamics simulations we demonstrate that the layer stiffness has profound effects on the superlubricant state of two-dimensional van der Waals heterostructures. These are engineered to have identical inter-layer sliding energy surfaces, but layers of different rigidity, so that the effects of the stiffness on the microscopic friction in the superlubricant state can be isolated. A twofold increase in the intra-layer stiffness reduces the friction by approximately a factor six. Most importantly, we find two sliding regimes as a function of t…
We study the response of an adsorbed monolayer under a driving force as a model of sliding friction phenomena between two crystalline surfaces with a boundary lubrication layer. Using Langevin-dynamics simulation, we determine the nonlinear response in the direction transverse to a high symmetry direction along which the layer is already sliding. We find that below a finite transition temperature, there exist a critical depinning force and hysteresis effects in the transverse response in the dynamical state when the adlayer is sliding smoothly along the longitudinal direction.
We propose an elasto-plastic inspired friction model which incorporates interfacial stiffness. Steady state sliding friction is characterized by a generic nonmonotonic behavior, including both velocity weakening and strengthening branches. In 1D and upon the application of sideway loading, we demonstrate the existence of transient cracklike fronts whose velocity is independent of sound speed, which we propose to be analogous to the recently discovered slow interfacial rupture fronts. Most importantly, the properties of these transient inhomogeneously loaded fronts are determined by steady stat…
As mechanical devices in the nano/micro length scale are increasingly employed, it is crucial to understand nanoscale friction and wear especially at technically relevant sliding velocities. Accordingly, a novel technique has been developed for Friction Coefficient Mapping (FCM), leveraging recent advances in high speed AFM. The technique efficiently acquires friction versus force curves based on a sequence of images at a single location, each with incrementally lower loads. As a result, true maps of the coefficient of friction can be uniquely calculated for heterogeneous surfaces. These param…
Non-equilibrium molecular dynamics simulations, of crucial importance in sliding friction, are hampered by arbitrariness and uncertainties in the removal of the frictionally generated Joule heat. Building upon general pre-existing formulation, we implement a fully microscopic dissipation approach which, based on a parameter-free, non-Markovian, stochastic dynamics, absorbs Joule heat equivalently to a semi-infinite solid and harmonic substrate. As a test case, we investigate the stick-slip friction of a slider over a two-dimensional Lennard-Jones solid, comparing our virtually exact frictional…
A large measured 2D diffusion coefficient of gold nanoclusters on graphite has been known experimentally and theoretically for about a decade. When subjected to a lateral force, these clusters should slide with an amount of friction that could be measured. We examine the hypothetical possibility to measure by Quartz Crystal Microbalance (QCM) the phononic sliding friction of gold clusters in the size range around 250 atoms on a graphite substrate between 300 and 600 K. Assuming the validity of Einstein's relations of ordinary Brownian motion and making use of the experimentally available activ…
The effects of a step defect and a random array of point defects (such as vacancies or substitutional impurities) on the force of friction acting on a xenon monolayer film as it slides on a silver (111) substrate are studied by molecular dynamic simulations and compared with the results of lowest order perturbation theory in the substrate corrugation potential. For the case of a step, the magnitude and velocity dependence of the friction force are strongly dependent on the direction of sliding respect to the step and the corrugation strength. When the applied force F is perpendicular to the st…
We experimentally study the surface roughness and the lateral friction force in single-layer MoS2 crystals deposited on different substrates: SiO2, mica and hexagonal boron nitride (h-BN). Roughness and sliding friction measurements are performed by atomic force microscopy (AFM). We find a strong dependence of the MoS2 roughness on the underlying substrate material, being h-BN the substrate which better preserves the flatness of the MoS2 crystal. The lateral friction also lowers as the roughness decreases, and attains its lowest value for MoS2 flakes on h-BN substrates. However, it is still hi…
Using both a recent calculation by Bruch of the damping of the motion of a monolayer nitrogen film oscillating harmonically on a metallic surface due to Ohm's law heating and a Thomas-Fermi approximation treatment of the Ohm's law heating mechanism, which accounts for the nonzero thickness of the surface region of a metal, it is argued that this mechanism for friction is able to account for recent measurements of the drop in the friction for anitrogen film sliding over a lead substrate as it goes below its superconducting transition temperature. Bruch's calculation is also made more transparen…
Molecular dynamics simulations of a Xe monolayer sliding on Ag(001) and Ag(111) are carried out in order to ascertain the microscopic origin of friction. For several values of the electronic contribution to the friction of individual Xe atoms, the intra-overlayer phonon dissipation is calculated as a function of the corrugation amplitude of the substrate potential, which is a pertinent parameter to consider. Within the accuracy of the numerical results and the uncertainty with which the values of the relevant parameters are known at present, we conclude that electronic and phononic dissipation…
Molecular dynamics study of a thin (one to five layers) lubricant film between two substrates in moving contact are performed using Langevin equations with an external damping coefficient depending on distance and velocity of atoms relative the substrates, motivated by microscopic configurations. They show that the minimal friction coefficient is obtained for the solid-sliding regime. A detailed analysis of the results, the comparison with other microscopic modeling approaches of friction, and the evaluation of quantities that can be compared to experiments, such as the velocity of the transit…
It is shown using a method based on a modified version of the mean field theory of Miklavic Marcelja that it should be possible for osmotic pressure due to the counterions associated with the two polyelectrolyte polymer brush coated surfaces to support a reasonable load (i.e., about $10^6 Pa$) with the brushes held sufficiently far apart to prevent entanglement of polymers belonging to the two brushes, thus avoiding what is believed to be the dominant mechanisms for static and dry friction.
The structure and motion of carbon and h-BN nanotubes (NTs) deposited on graphene is inquired theoretically by simulations based on state-of-the-art interatomic force fields. Results show that any typical cylinder-over-surface approximation is essentially inaccurate. NTs tend to flatten at the interface with the substrate and upon driving they can either roll or slide depending on their size and on their relative orientation with the substrate. In the epitaxially aligned orientation we find that rolling is always the main mechanism of motion, producing a kinetic friction linearly growing with …
Molecular dynamics simulations of coaxial carbon nanotubes in relative sliding motion reveal a striking enhancement of friction when phonons whose group velocity is close to the sliding velocity of the nanotubes are resonantly excited. The effect is analogous to the dramatic increase in air drag experienced by aircraft flying close to the speed of sound, but differs in that it can occur in multiple velocity ranges with varying magnitude, depending on the atomic level structures of the nanotubes. The phenomenon is a general one that may occur in other nanoscale mechanical systems.
We study the response of an adsorbed monolayer on a disordered substrate under a driving force using Brownian molecular-dynamics simulation. We find that the sharp longitudinal and transverse depinning transitions with hysteresis still persist in the presence of weak disorder. However, the transitions are smeared out in the strong disorder limit. The theoretical results here provide a natural explanation for the recent data for the depinning transition of Kr films on gold substrate.
A typical nanotribology simulation setup is the semi-infinite substrate, featuring a sliding bead on top, and with the lower substrate layers thermostatted to control temperature. A challenge is dealing with phonons that backreflect from the substrate lower boundary, as these will artificially reduce the friction FR acting on the sliding bead. One proposed solution is to use a Langevin thermostat, operating at temperature TLAN, and with the corresponding damping parameter, GAMMA, optimally tuned such that FR is maximized [Benassi etal, PHYSREVB, V82, P081401, 2010]. In this paper, the method i…
The melting of ultrathin lubricant film is studied by friction between atomically flat surfaces. The fluctuations of lubricant temperature are taken into account defined by Ornstein-Uhlenbeck process. The phase diagrams and portraits are calculated for the cases of second-order and first-order transitions -- the melting of amorphous and crystalline lubricants. It is shown that in the first case the stick-slip friction domain appears, dividing the regions of dry and sliding friction. In the second case the three stick-slip friction domains arise characterized by transitions between dry, metasta…
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 demonstrating and clarifying the mechanism and potential impact of these effects. A structural order parameter inside the material will yield a contribution to stick-slip friction that is nonmonotonic as temperature crosses the phase transition, peaking at the critical Tc where critical fluctuations are strongest, and the sliding-induced order parameter local flips…
We report microscale friction experiments for diamond/metal and diamond/silica contacts under gigapascal contact pressures. Using a new nanoprobe technique which has sufficient dynamic range of force and stiffness, we demonstrate the processes involved in the transition from purely interface sliding at the nanoscale to the situation where at least one of the sliding bodies undergoes some plastic deformation. For sliding of micrometer-scale diamond spherical tips on metallic substrates, additional local plastic yielding of the substrate resulting from tangential tractions causes the tip to sink…
A model of friction with plastic contact nudging: Amontons-Coulomb laws, aging of static friction, and non-monotonic Stribeck curves with finite quasistatic limit
We numerically study a simple sliding system: a rigid mass pulled by a spring with a strong in-plane stiffness anisotropy and a small misalignment angle. Simulations show that the apparent stick phase appearing in this system is in reality a phase of very slow creep, followed by a rapid sliding, slip. Surprisingly, the absolute value of the friction force remains almost constant from the very beginning of the stick phase, merely rotating in the sliding plane. We call this specific mechanism of apparent stick due to rotation of the force vector "dynamic stiction".
\textbf{Background} Hydrogels are crosslinked polymer networks that can absorb and retain a large fraction of liquid. Near a critical sliding velocity, hydrogels pressed against smooth surfaces exhibit time-dependent frictional behavior occurring over multiple timescales, yet the origin of these dynamics is unresolved. \textbf{Objective} Here, we characterize this time-dependent regime and show that it is consistent with two distinct molecular processes: sliding-induced relaxation and quiescent recovery. \textbf{Methods} Our experiments use a custom pin-on-disk tribometer to examine poly(acryl…
Simulated sliding between an oxidized silicon tip and surface over six decades of velocity using accelerated molecular dynamics reproduces the experimentally observed velocity dependence of the friction force. Unlike in the crystalline case, as increasing force is applied to the amorphous tip intermediate states arise. These intermediate states serve as critical transition pathways. The emergence of such states leads to the emergence of a plateau in sliding velocity at lower sliding speeds and higher temperatures. A simple theory based on these observations successfully describes both the expe…
We study the 2D linear stability analysis of a deformable solid of a finite height $H$, steadily sliding on top of a rigid solid within a generic rate-and-state friction type constitutive framework, fully accounting for elastodynamic effects. We derive the linear stability spectrum, quantifying the interplay between stabilization related to the frictional constitutive law and destabilization related both to the elastodynamic bi-material coupling between normal stress variations and interfacial slip, and to finite size effects. The stabilizing effects related to the frictional constitutive law …
We study the nonlinear driven response and sliding friction behavior of the phase-field-crystal (PFC) model with pinning including both thermal fluctuations and inertial effects. The model provides a continuous description of adsorbed layers on a substrate under the action of an external driving force at finite temperatures, allowing for both elastic and plastic deformations. We derive general stochastic dynamical equations for the particle and momentum densities including both thermal fluctuations and inertial effects. The resulting coupled equations for the PFC model are studied numerically.…
A decade ago, Budakian and Putterman (Phys. Rev. Lett., {\bf 85}, 1000 (2000)) ascribed friction to the formation of bonds arising from contact charging when a gold tip of a surface force apparatus was dragged on polymethylmethacrylate surface. We propose a stick-slip model that captures the observed correlation between stick-slip events and charge transfer, and the lack of dependence of the scale factor connecting the force jumps and charge transfer on normal load. Here, stick-slip dynamics arises as a competition between the visco-elastic and plastic deformation time scales and that due to t…
In the sliding contact of elastomer on a rigid substrate, the coefficient of friction may depend on a large number of system and loading parameters, including normal force, sliding velocity, shape of contacting bodies, surface roughness and so on. It was argued earlier that the contact configuration is determined more immediately through the indentation depth than the normal force, and thus the indentation depth can be considered as one of "robust governing parameters" of friction. Both models of friction of simple shapes and fractal surfaces demonstrate that the coefficient of friction of ela…
As recently suggested in an interestring and stimulating paper by Menga, Carbone & Dini (MCD), applying fracture mechanics energy concepts for the case of a sliding adhesive contact, imposing also the shear stress is constant at the interface and equal to a material constant (as it seems in experiments), leads to a increase of contact area which instead is never observed. We add that the rigorous MCD theory also predict a size effect and hence a distortion of the JKR curve during sliding which is also not observed in experiments. Finally, a simpler example with the pure mode I contact case, le…
The goal of this PhD thesis was to characterize the properties of friction in nanotubes and from a more general point of view the understanding of the microscopic origin of friction. Indeed, the relative simplicity of the system allows us to interpret more easily the physical phenomenon observed than in larger systems. In order to achieve this goal, non-equilibrium statistical mechanics permitted first to develop models based on Langevin equations describing the dynamics of rotation and translation in double walled nanotubes. The molecular dynamics simulations then permitted to validate these …
Recent measurements suggest the possibility to exploit ionic liquids (ILs) as smart lubricants for nano-contacts, tuning their tribological and rheological properties by charging the sliding interfaces. Following our earlier theoretical study of charging effects on nanoscale confinement and squeezout of a model IL, we present here molecular dynamics simulations of the frictional and lubrication properties of that model under charging conditions.First we describe the case when two equally charged plates slide while being held together to a confinement distance of a few molecular layers.The shea…
The surface of a crystal made of roughly spherical molecules exposes, above its bulk rotational phase transition at T= T$_r$, a carpet of freely rotating molecules, possibly functioning as "nanobearings" in sliding friction. We explored by extensive molecular dynamics simulations the frictional and adhesion changes experienced by a sliding C$_{60}$ flake on the surface of the prototype system C$_{60}$ fullerite. At fixed flake orientation both quantities exhibit only a modest frictional drop of order 20% across the transition. However, adhesion and friction drop by a factor of $\sim$ 2 as the …
We study the thermal effects on the frictional properties of atomically thin sheets. We simulate a simple model based on the Prandtl-Tomlinson model that reproduces the layer dependence of friction and strengthening effects seen in AFM experiments. We investigate sliding at constant speed as well as reversing direction. We also investigate contact aging: the changes that occur to the contact when the sliding stops completely. We compare the numerical results to analytical calculations based on Kramers rates. We find that there is a slower than exponential contact aging that weakens the contact…
Amontons' law states that the maximum static friction force on a solid object is proportional to the loading force and is independent of the apparent contact area. This law indicates that the static friction coefficient does not depend on the external pressure or object shape. Here, we numerically investigate the sliding motion of a 3D viscoelastic block on a rigid substrate using the finite element method (FEM). The macroscopic static friction coefficient decreases with an increase in the external pressure, length, or width of the object, which contradicts Amontons' law. Precursor slip occurs…
We discuss the stick-slip motion of an elastic block sliding along a rigid substrate. We argue that for a given external shear stress this system shows a discontinuous nonequilibrium transition from a uniform stick state to uniform sliding at some critical stress which is nothing but the Griffith threshold for crack propagation. An inhomogeneous mode of sliding occurs, when the driving velocity is prescribed instead of the external stress. A transition to homogeneous sliding occurs at a critical velocity, which is related to the critical stress. We solve the elastic problem for a steady-state …
The increase of sliding friction upon increasing load is a classic in the macroscopic world. Here we discuss the possibility that friction rise might sometimes turn into a drop when, at the mesoscale and nanoscale, a confined lubricant film separating crystalline sliders undergoes strong layering and solidification. Under pressure, transitions from N to N-1 layers may imply a change of lateral periodicity of the crystallized lubricant sufficient to alter the matching of crystal structures, influencing the ensuing friction jump. A pressure-induced friction drop may occur as the shear gradient m…
We analyze the friction force exerted on a small probe particle sliding over an atomic-scale surface by means of a Green-Kubo relation and classical Molecular Dynamics simulations. We find that, on the atomic scale, the friction tensor can drastically vary as a function of position and sliding direction. The Green-Kubo relation yields this positional and directional dependence from equilibrium simulations of the time dependent covariance of force acting on the probe. We find, unexpectedly, that the positional and directional dependence of energy dissipation is related to the (much simpler) sta…
The sliding of a solid object on a solid substrate requires a shear force that is larger than the maximum static friction force. It is commonly believed that the maximum static friction force is proportional to the loading force and does not depend on the apparent contact area. The ratio of the maximum static friction force to the loading force is called the static friction coefficient mM, which is considered to be a constant. Here, we conduct experiments demonstrating that the static friction force of a slider on a substrate follows a novel friction law under certain conditions. The magnitude…
Granite sliding on granite: friction, wear rates, surface topography, and the scale-dependence of rate-state effects
Saarland University（萨尔兰大学）；Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences（中国科学院兰州化学物理研究所）；Peter Grünberg Institute (PGI-1), Forschungszentrum Jülich（于利希研究中心彼得·格林贝格研究所（PGI-1））；MultiscaleConsulting（多尺度咨询公司）
In many sliding systems consisting of solid object on a solid substrate under dry condition, the friction force does not depend on the apparent contact area and is proportional to the loading force. This behaviour is called Amontons' law and indicates that the friction coefficient, or the ratio of the friction force to the loading force, is constant. Here, however, using numerical and analytical methods, we show that Amontons' law breaks down systematically under certain conditions for an elastic object experiencing a friction force that locally obeys Amontons' law. The macroscopic static fric…
