Effects of non-flat contact and interference on self-assembled monolayers under sliding friction

The nanotribology mechanism of alkanethiol self-assembled monolayers (SAM) chemisorbed on a gold surface under a non-flat contact by a tilt plane was studied using molecular dynamics (MD) simulations. The molecular trajectories, tilt angles, normal forces, shear forces, and frictional coefficient of the SAM were evaluated during the friction and relaxation processes for various parameters, including the tilt angle of the slider, interference magnitude, and SAM length. At the nanoscale, the magnitude of interface interactional forces is strongly dependent on the magnitude of the contact area, not on the surface geometry. The contact area and the exerted normal force of the SAM increase with decreasing the tilt angle of the slider at the same contact interference. In contrast, the periods in both normal force and shear force are gradually delayed as the tilt angle of the slider increases. Once the contact interference increases, the normal force and shear force increase together. During the sliding friction process with a smaller tilt slider angle, SAM molecules can maintain a better collective ordered structure. Short SAM molecules are more sensitive to a compressive loading and react to a larger normal force under the same contact interference due to the deformation of a larger tilt angle and decrease in chain length. The friction coefficient of SAM is significantly more dependent on the tilt angle of the slider than the contact interference.     

Study of the shear-rate dependence of granular friction based on community detection

In this study, computer simulations are performed on three-dimensional granular systems under shear conditions. The system comprises granular particles that are confined between two rigid plates. The top plate is subjected to a normal force and driven by a shearing velocity. A positive shear-rate dependence of granular friction, known as velocity-strengthening, exists between the granular and shearing plate. To understand the origin of the dependence of frictional sliding, we treat the granular system as a complex network, where granular particles are nodes and normal contact forces are weighted edges used to obtain insight into the interiors of granular matter. Community structures within granular property networks are detected under different shearing velocities in the steady state. Community parameters, such as the size of the largest cluster and average size of clusters, show significant monotonous trends in shearing velocity associated with the shear-rate dependence of granular friction. Then, we apply an instantaneous change in shearing velocity. A dramatic increase in friction is observed with a change in shearing velocity in the non-steady state. The community structures in the non-steady state are different from those in the steady state. Results indicate that the largest cluster is a key factor affecting the friction between the granular and shearing plate.     

Nanotribology of self-assembled monolayer with a probe tip investigated using molecular dynamics simulations

The nanotribology of an alkanethiol self-assembled monolayer (SAM) under tilt contact with a scanning probe tip is studied using molecular dynamics (MD) simulations. The tilt contact is described in terms of the tilt angle and the magnitude of the specimen–tip separation. The effects of tilt angle and magnitude of the specimen–tip separation on the normal force, friction force, friction coefficient, shear strength of the tip–SAM junction, and self-recovery characteristics are evaluated during the scanning probe tip process at a temperature of 300 K. The simulation results clearly show that the magnitudes and periods of the normal force and friction force increase with decreasing magnitude of the specimen–tip separation due to a large change of the tilt angle of the SAM chains during the deformation and recovery stages. For scanning and indentation processes, the effect of the tilt angle of the probe tip on the normal force is more significant than that on the friction force for the SAM. The behaviors of interfacial contact forces, friction coefficient, and shear strength strongly depend on the number of interacting atoms and the contact area, which increases with decreasing magnitude of the specimen–tip separation and increasing tilt angle of the probe tip. The self-recovery of SAM is significantly affected by the magnitude of the specimen–tip separation; the recovery ability of SAM is worse for magnitude of the specimen–tip separation below −0.9 nm with a large tilt angle of the probe tip.     

An investigation of nanoscale tribological characteristics under different interaction forces

The present study employs a Finite Element Method (FEM) atomic approach to investigate the nanoscale mechanisms of sliding friction. The current investigation chooses diamond-like carbon as the hard material, and copper as the soft material. The atomic configurations following sliding under non-interactive, attractive, and repulsive interaction forces are observed for soft-to-soft, hard-to-soft, and hard-to-hard sliding systems. The relationships between the normal force, the friction force, and the sliding distance are discussed. The current simulation results exhibit a similar trend with the findings of previous studies using molecular dynamics approach.     

Langmuir-Blodgett膜摩擦分子动力学模拟和机理研究

采用分子动力学方法,模拟了在两块石英基板上由脂肪酸(C₁₅H₃₁COOH)组成的单层Langmuir-Blodgett (LB)膜间的摩擦特性,探究了超薄膜在滑动过程中的摩擦和结构机理.得出对于单层LB膜在滑动过程中,在速度小于60m/s时,随着速度的增大,其剪切压增大;在速度大于60 m/s时,剪切压随速度的增加而减小.其链的倾斜角随着滑动速度的增加而减小.单层膜内的分子之间以氢键方式形成了较大的分子簇,由此导致了剪切压呈现较长的周期性,但在单层膜之间无氢键形 关键词： 分子动力学模拟 朗缪尔布洛杰特膜 纳米摩擦 氢键     

Preparation and tribological tests of thin fluoroorganic films

Adhesion, friction and consequent wear of sliding surfaces are the basic problems that limit the performance and reliability of microelectromechanical devices. Lubrication of these nano- and microscale contacts is different from traditional lubricants. Self-assembled monolayers (SAMs) chemically bonded to the substrate are considered to be the best solution of lubrication. The majority of these monolayers are hydrophobic providing low friction, adhesion and wear.Chemical vapor deposition was used to grow a fluorosilane film on silicon Si(1 0 0) and a condensed monolayer of 3-mercaptopropyltrimethoxysilane (MPTMS) on Au(1 1 1). The films were characterized by means of a contact angle analyzer for hydrophobicity, and time-of-flight secondary ion mass spectrometry (ToF-SIMS) for identification of thin fluoroorganic monolayers deposited on silica surfaces and condensed monolayer MPTMS. Adhesion and friction measurements were performed using atomic force microscopy (AFM) and compared with measurements performed using a microtribometer operating in millinewton (mN) normal load range. Nanotribological measurements indicated that silica and MPTMS modified by fluorosilanes have the lowest friction coefficient and indicated a decrease friction coefficient with increasing fluoric alkyl chain length.     

Lubrication by molecularly thin water films confined between nanostructured membranes

We use molecular dynamics simulations to study thermal sliding of two nanostructured surfaces separated by nanoscale water films. We find that friction at molecular separations is determined primarily by the effective free energy landscape for motion in the plane of sliding, which depends sensitively on the surface character and the molecular structure of the confined water. Small changes in the surface nanostructure can have dramatic effects on the apparent rheology. Whereas porous and molecularly rough interfaces of open carbon nanotube membranes are found to glide with little friction, a comparably smooth interface of end-capped nanotubes is effectively stuck. The addition of salt to the water layer is found to reduce the sliding friction. Surprisingly, the intervening layers of water remain fluid in all cases, even in the case of high apparent friction between the two membranes.     

Compression of polyelectrolyte brushes in a salt-free theta solvent

This paper examines the normal force between two opposing polyelectrolyte brushes and the interpenetration of their chains that is responsible for sliding friction. It focuses on the special case of semi-dilute brushes in a salt-free theta solvent, for which Zhulina and Borisov (J. Chem. Phys. 107, 5952 (1997)) have derived analytical predictions using the classical strong-stretching theory (SST). Interestingly, SST predicts that the brushes contract as they are compressed together maintaining a polymer-free gap, which provides an explanation for the ultra-low frictional forces observed in experiment. We examine the degree to which the SST predictions are affected by chain fluctuations by employing self-consistent field theory (SCFT). While the normal force is relatively unaffected, fluctuations are found to have a strong impact on brush interpenetration. Even still, the contraction of the brushes does significantly prolong the onset of interpenetration, implying that a sizeable normal force can be achieved before the sliding friction becomes significant.     

Nanoscale interaction mechanism between a solid tip and a layered material while in relative motion: the boric acid case

The interaction occurring between a layered material (boric acid) and an atomic force microscope tip is discussed. It is shown that images containing the periodicity of a boric acid crystal, and the low friction occurring between the tip and the crystal surface, are caused by an effective tip composed of boric acid molecules. The friction at the sliding system decreases with an increase of the scanning velocity, suggesting that the dependence of friction on the velocity can be caused by a change of the energy dissipation regime from the nonlinear dynamics of a sliding system to phonon excitation.     

Systematic study of the effect of disorder on nanotribology of self-assembled monolayers

The adhesion and friction between pairs of ordered and disordered self-assembled monolayers on SiO2 are studied using molecular dynamics. The disorder is introduced by randomly removing chains from a well ordered crystalline substrate and by attaching chains to an amorphous substrate. The adhesion force between monolayers at a given separation increases monotonically with chain length at full coverage and with coverage for fixed chain length. Friction simulations are performed at shear velocities between 0.02-2 m/s at constant applied pressures between 200 and 600 MPa. Stick-slip motion is observed at full coverage but disappears with disorder. With random defects, the friction becomes insensitive to chain length, defect density, and substrate.     

Sliding velocity dependence of adhesion in a nanometer-sized contact

The influence of sliding velocity on the adhesion force in a nanometer-sized contact was investigated with a novel atomic force microscope experimental setup that allows measuring adhesion forces while the probe is sliding at continuous and constant velocities. For hydrophobic surfaces, the adhesion forces (mainly van?der?Waals forces) remain constant, whereas for hydrophilic surfaces, adhesion forces (mainly capillary forces) decrease linearly with a logarithmic increase of the sliding velocity. The experimental data are well explained by a model based on a thermally activated growth process of a capillary meniscus.     

Tribological behavior of micro/nano-patterned surfaces in contact with AFM colloidal probe

In effort to investigate the influence of the micro/nano-patterning or surface texturing on the nanotribological properties of patterned surfaces, the patterned polydimethylsiloxane (PDMS) surfaces with pillars were fabricated by replica molding technique. The surface morphologies of patterned PDMS surfaces with varying pillar sizes and spacing between pillars were characterized by atomic force microscope (AFM) and scanning electron microscope (SEM). The AFM/FFM was used to acquire the friction force images of micro/nano-patterned surfaces using a colloidal probe. A difference in friction force produced a contrast on the friction force images when the colloidal probe slid over different regions of the patterned polymer surfaces. The average friction force of patterned surface was related to the spacing between the pillars and their size. It decreased with the decreasing of spacing between the pillars and the increasing of pillar size. A reduction in friction force was attributed to the reduced area of contact between patterned surface and colloidal probe. Additionally, the average friction force increased with increasing applied load and sliding velocity.     

Friction between α-Al2O3(0 0 0 1) surfaces and the effects of surface hydroxylation

Molecular dynamics simulations were performed to study the friction between hydroxylated α-Al₂O₃(0 0 0 1) surfaces at the temperature of 300 K. Effects of the degree of surface hydroxylation and sliding velocity have been discussed. Results indicate that the friction coefficient decreases with increased degrees of hydroxylation. For all degrees of surface hydroxylation, the friction law crosses over from thermal activation to viscous damping at sliding velocity of 80 m/s.     

Velocity plateaus and jumps in carbon nanotube sliding

The friction between concentric carbon nanotubes sliding one inside the other has been widely studied and simulated, but not so far using external force as the driving variable. Our molecular dynamics (MD) simulations show that as the pulling force grows, the sliding velocity increases by jumps and plateaus rather than continuously as expected. Dramatic friction peaks [similar to that recently noted by P. Tangney, M.L. Cohen, S.G. Louie, Phys. Rev. Lett. 97 (2006) 195901] which develop around some preferential sliding velocities, are at the origin of this phenomenon. The (stable) rising edge of the peak produces a velocity plateau; the (unstable) dropping edge produces a jump to the nearest stable branch. The outcome is reminiscent of conduction in ionized gases, the plateau corresponding to a current stabilization against voltage variations, the jump corresponding to a discharge or breakdown.     

Transverse thermal depinning and nonlinear sliding friction of an adsorbed monolayer

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.     

Kinetics of capillary condensation in nanoscopic sliding friction

The velocity and humidity dependence of nanoscopic sliding friction has been studied on CrN and diamondlike carbon surfaces with an atomic force microscope. The surface wettability is found to be decisive. Partially hydrophilic surfaces show a logarithmic decrease of friction with increasing velocity, the slope of which varies drastically with humidity, whereas on partially hydrophobic surfaces we confirm the formerly reported logarithmic increase. A model for the thermally activated nucleation of water bridges between tip and sample asperities fully reproduces the experimental data.     

Dynamic effects of ion-lattice coupling for rare-earth ions

The adsorption isotherms for Kr monolayers on graphite measured by A. Thomy and X. Duval, J. chim. phys., 67, 1101 (1970) are transformed into the ‘spreading pressure’ as a function of the number density of adsorbed molecules and compared with the pressure of a two-dimensional Lennard-Jones fluid determined by the molecular dynamics technique. The comparison shows that the mobile-layer model for adsorption fails at low temperatures. The liquid-solid phase transitions in the adsorption monolayer appear at lower densities than in a two dimensional Lennard-Jones fluid and the adsorbed liquid layer is compressible in contrast to the two-dimensional Lennard-Jones liquid.     

Dragging of polarizable nanodroplets by distantly solvated ions

We show by molecular dynamics simulations that ions intercalated in carbon and boron-nitride nanotubes can be solvated at distance in polarizable nanodroplets adsorbed on their surfaces. When the ions are driven in the nanotubes by electric fields, the adsorbed droplets are dragged together with them. We illustrate this phenomenon by dragging assemblies of 20-10,000 water molecules by individual Na+ and Cl- ions. This ion-facilitated dragging could be applied in molecular delivery, separation, and desalination.     

Simple microscopic theory of Amontons's laws for static friction

A microscopic theory for the ubiquitous phenomenon of static friction is presented. Interactions between two surfaces are modeled by an energy penalty that increases exponentially with the degree of surface overlap. The resulting static friction is proportional to load, in accordance with Amontons's laws. However, the friction coefficient between bare surfaces vanishes as the area of individual contacts grows, except in the rare case of commensurate surfaces. An area independent friction coefficient is obtained for any surface geometry when an adsorbed layer of mobile atoms is introduced between the surfaces. The predictions from our simple analytic model are confirmed by detailed molecular dynamics simulations.     

Elastic–plastic cube model for ultrasonic friction reduction via Poisson's effect

Ultrasonic friction reduction has been studied experimentally and theoretically. This paper presents a new elastic–plastic cube model which can be applied to various ultrasonic lubrication cases. A cube is used to represent all the contacting asperities of two surfaces. Friction force is considered as the product of the tangential contact stiffness and the deformation of the cube. Ultrasonic vibrations are projected onto three orthogonal directions, separately changing contact parameters and deformations. Hence, the overall change of friction forces. Experiments are conducted to examine ultrasonic friction reduction using different materials under normal loads that vary from 40 N to 240 N. Ultrasonic vibrations are generated both in longitudinal and vertical (out-of-plane) directions by way of the Poisson effect. The tests show up to 60% friction reduction; model simulations describe the trends observed experimentally.