Force dependence of transition rates in atomic friction

The lateral forces during stick-slip motion of an atomic force microscope cantilever on highly oriented pyrolytic graphite are measured and analyzed. We identify the regimes where thermally activated interstitial hopping of the cantilever tip proceeds according to a single-step reaction scheme and extract the corresponding force-dependent transition rates directly from the experimental data. We find that such a single-step reaction scenario is valid only at relatively high velocities, while at slower pulling speeds, a more complicated hopping mechanism must be at work. We suggest formation of multiple bonds of the tip-sample contact as a possible candidate for this mechanism.     

Interaction potential and hopping dynamics governing sliding friction

The friction force on a nanometer-sized tip sliding on a surface is related to the thermally activated hopping of the contact atoms on an effective atomic interaction potential. A general analytical expression relates the height of this potential and the hopping attempt frequency to measurements of the velocity dependence of the friction force performed with an atomic force microscope. While the height of the potential is roughly proportional to the normal load, the attempt frequency falls in the range of mechanical eigenfrequencies of the probing tip in contact with the surface.     

Transition from stick-slip to continuous sliding in atomic friction: entering a new regime of ultralow friction

A transition from stick-slip to continuous sliding is observed for atomically modulated friction by means of a friction force microscope. When the stick-slip instabilities cease to exist, a new regime of ultralow friction is encountered. The transition is described in the framework of the Tomlinson model using a parameter eta which relates the strength of the lateral atomic surface potential and the stiffness of the contact under study. Experimentally, this parameter can be tuned by varying the normal load on the contact. We compare our results to a recently discussed concept called superlubricity.     

Quasi-coarse-grained dynamics: modelling of metallic materials at mesoscales

A computationally efficient modelling method called quasi-coarse-grained dynamics (QCGD) is developed to expand the capabilities of molecular dynamics (MD) simulations to model behaviour of metallic materials at the mesoscales. This mesoscale method is based on solving the equations of motion for a chosen set of representative atoms from an atomistic microstructure and using scaling relationships for the atomic-scale interatomic potentials in MD simulations to define the interactions between representative atoms. The scaling relationships retain the atomic-scale degrees of freedom and therefore energetics of the representative atoms as would be predicted in MD simulations. The total energetics of the system is retained by scaling the energetics and the atomic-scale degrees of freedom of these representative atoms to account for the missing atoms in the microstructure. This scaling of the energetics renders improved time steps for the QCGD simulations. The success of the QCGD method is demonstrated by the prediction of the structural energetics, high-temperature thermodynamics, deformation behaviour of interfaces, phase transformation behaviour, plastic deformation behaviour, heat generation during plastic deformation, as well as the wave propagation behaviour, as would be predicted using MD simulations for a reduced number of representative atoms. The reduced number of atoms and the improved time steps enables the modelling of metallic materials at the mesoscale in extreme environments.     

Frictional figures of merit for single layered nanostructures

We determine the frictional figures of merit for a pair of layered honeycomb nanostructures, such as graphane, fluorographene, MoS2 and WO2 moving over each other, by carrying out ab initio calculations of interlayer interaction under constant loading force. Using the Prandtl-Tomlinson model we derive the critical stiffness required to avoid stick-slip behavior. We show that these layered structures have low critical stiffness even under high loading forces due to their charged surfaces repelling each other. The intrinsic stiffness of these materials exceeds critical stiffness and thereby the materials avoid the stick-slip regime and attain nearly dissipationless continuous sliding. Remarkably, tungsten dioxide displays a much better performance relative to others and heralds a potential superlubricant. The absence of mechanical instabilities leading to conservative lateral forces is also confirmed directly by the simulations of sliding layers.     

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.     

Ageing of a microscopic sliding gold contact at low temperatures

Nanometer-scale friction measurements on a Au(111) surface have been performed at temperatures between 30 and 300?K by means of atomic force microscopy. Stable stick slip with atomic periodicity is observed at all temperatures, showing only weak dependence on temperature between 300 and 170?K. Below 170?K, friction increases with time and a distortion of the stick-slip characteristic is observed. Low friction and periodic stick slip can be reestablished by pulling the tip out of contact and subsequently restoring the contact. A comparison with molecular dynamics simulations indicates that plastic deformation within a growing gold junction leads to the observed frictional behavior at low temperatures. The regular stick slip with atomic periodicity observed at room temperature is the result of a dynamic equilibrium shape of the contact, as microscopic wear damage is observed to heal in the sliding contact.     

Tribological properties of silicate materials on nano and microscale

We studied the friction properties of four model silicate materials at the nanoscale and microscale. From nanotribology, we characterized the tribological properties at single asperity contact scale and from microtribology, we characterized the tribological properties at multi asperity contact scale. First, for each material we measured chemical composition by XPS, Young's modulus by acoustical microscopy and roughness σ by atomic force microscopy (AFM). Second, we measured the nanofriction coefficients with an AFM and the microfriction coefficients with a ball probe tribometer, for three hardnesses of the ball probe. We identified one friction mechanism at the nanoscale (sliding friction) and two friction mechanisms at the microscale (sliding friction and yielding friction). Comparison of the nano and microfriction coefficients at the same sliding friction regime shown, that the tribological properties of these materials didn’t depend on roughness.     

Theoretical investigation of laser pulse width dependence in a thermal confinement regime

Previous molecular dynamics (MD) simulations of ultraviolet (UV) laser ablation demonstrate the distinct dependence of material ejection on laser fluence and laser pulse duration. In this paper, we examine the pulse width dependence when the laser pulse widths are appropriate for the thermal confinement regime. We perform MD simulations of laser ablation with a laser pulse duration of 1 ns and compare with a pulse width of 150 ps as in previous simulations. The simulations confirm that the pulse width in thermal confinement regime does not dramatically influence the molecular ejection mechanism. The simulations reveal differentiations, however, in plume composition and the ablation threshold value. PACS 02.70.Ns; 61.80.Az; 79.20.Ap     

Effect of the temperature dependence of the viscosity of pseudoplastic lubricants on the boundary friction regime

The boundary friction regime appearing between two atomically smooth solid surfaces with an ultrathin lubricating layer between them is considered. The interrupted (stick-slip) regime of motion typical of the boundary lubrication is represented as a first-order phase transition between the structural states of the lubricant. The thermodynamic and shear melting is described. The universal dependence of the viscosity of high-molecular alkanes (lubricants) on the temperature and velocity gradient is taken into account. The dependence of the friction force on the lubricant temperature and the relative shear velocity of the interacting surfaces are analyzed. It is shown that the temperature dependence of the viscosity makes it possible to describe some experimentally observed effects. The possibility of prolonged damped oscillations after lubricant melting prior to the stabilization of the steady-state sliding mode is predicted. In the stick-slip regime in a wide range of parameters, a reversive motion is observed when the upper block moves in both directions after melting.     

Reconstruction of bowing point friction force in a bowed string

A method is presented for reconstructing the friction force and the velocity at the bowing point of a string excited by a rosined bow sliding transverse to the string. Two versions of the method of reconstruction are presented, each approximate in different ways, but both capable of sufficient accuracy to allow useful application to problems of understanding frictional interactions in this dynamical system. The method is illustrated with simulated data to verify its accuracy, and results are shown for two contrasting cases of observed stick-slip string motion. As has been found in other investigations, the friction force during sliding is not determined by the instantaneous sliding speed. The results seem to be compatible with a thermally based model of rosin friction.     

Stick-slip regime of melting of boundary lubrication taking into account spatial inhomogeneity

The processes of boundary friction between two atomically smooth solid surfaces with an ultrathin layer of lubricant between them are studied in the context of the model of the first-order phase transitions, taking into account the spatial inhomogeneity. The stick-slip regime of motion, which is often observed experimentally for such systems, is considered. Such a regime is represented as the periodic first-order phase transitions between the structural states of the lubricant. It is shown that during motion, the lubricant tends to assume a homogeneous structure over the sliding plane, which results in the periodicity of time dependences of the basic parameters in the stick-slip regime. The dependence of the order parameter on the shear rate is analyzed and it is shown that this dependence has the same shape for all the regions on the contact plane.     

Experimental studies of solid state surface wetting of tin (Sn) on aluminium (Al)

Under ultra high vacuum (UHV) conditions tin (Sn) forms a monoatomic wetting layer on aluminium (Al) surfaces if Sn-islands formed by a preceding deposition process are present. Previous experimental observations and Kinetic Monte Carlo (KMC) simulations suggest that wetting layer formation is governed by thermally activated surface diffusion and adsorption processes.This paper presents a systematic study of the wetting of the inner and outer interfaces of Al by Sn in sandwich systems consisting of a 400 nm Al-base layer, a 10 nm Sn interlayer and a 400 nm thick Al capping layer. The morphology and chemical composition of the sandwich systems is investigated by scanning electron microscopy (SEM) and atomic force microscopy (AFM). The wetting process is studied by scanning auger electron spectroscopy (AES) under UHV conditions. Depositing the Al-capping layer at different deposition rates allows for the assessment of the influence of the grain boundary density on the velocity of Sn-transport through the Al-capping layer. Studying the permeation speed of Sn through the capping layer at different temperatures shows that Sn penetrates the capping layer much more rapidly at elevated temperatures thus corroborating the involvement of thermally activated mechanisms in the transport process.     

Stochastic theory of ultrathin lubricant film melting in the stick-slip regime

Melting of an ultrathin lubricant film under friction between atomically smooth surfaces is studied in terms of the Lorentz model. Additive noise associated with shear stresses and strains, as well as with film temperature, is introduced, and a phase diagram is constructed where the noise intensity of the film temperature and the temperature of rubbing surfaces define the domains of sliding, dry, and stick-slip friction. Conditions are found under which stick-slip friction proceeds in the intermittent regime, which is characteristic of selforganized criticality. The stress self-similar distribution, which is provided by temperature fluctuations, is represented with allowance for nonlinear relaxation of stresses and fractional feedbacks in the Lorentz system. Such a fractional scheme is used to construct a phase diagram separating out different types of friction. Based on the study of the fractional Fokker-Planck equation, the conclusion is drawn that stick-slip friction corresponds to the subdiffusion process.     

Surface Morphologies: Transient and Equilibrium Shapes

Many different well defined surface morphologies of crystalline materials have been studied in the past 50 years. One of the important and most interesting objectives has been to elucidate the physical origin of the anisotropic surface free energy and, in more recent time, the energetics of surface defects, such as monatomic steps and kinks, which are thermally generated at steps. Changes in surface morphology related to phase transitions, such as faceting or surface roughening, have also attracted much attention. Kinetic experiments dealing with non-equilibrium structures and transient shapes, have lead to quantitative transport properties, for example, surface diffusion coefficients. Fully equilibrated structures, such as 2D and 3D equilibrium crystal shapes, have been imaged to extract the orientation dependent step and surface free energies, even at various temperatures. New imaging techniques with atomic resolution (notably scanning tunneling microscopy) applied to transient as well as equilibrium structures have provided more data of increased accuracy in kinetics and defect/surface energetics. The present paper is an attempt of a brief review of this rapidly advancing field, emphasizing more recent results.     

Predictions and observations of multiple slip modes in atomic-scale friction

Using the quasistatic Tomlinson model as a simple representation of an atomic force microscope, conditions for transitions in atomic-scale friction behavior from smooth sliding to single slips and then multiple slip regimes are derived based on energy minimization. The calculations predict and give a general explanation for transitions between different stick-slip regimes in the limit of low damping. The predictions are consistent with experimental observations of these transitions.     

Nanolubrication of sliding components in adaptive optics used in microprojectors

Integrated microprojectors are being developed to project a large image on any surface chosen by the users. For a laser-based microprojector, a piezo-electric based adaptive optics unit is adopted in the green laser architecture. The operation of this unit depends on stick-slip motion between the sliding components. Nanolubrication of adaptive optics sliding components is needed to reduce wear and for smooth operation. In this study, a methodology to measure lubricant thickness distribution with a nanoscale resolution is developed. Friction, adhesion, and wear mechanisms of lubricant on the sliding components are studied. Effect of actual composite components, scan direction, scale effect, temperature, and humidity to correlate AFM data with the microscale device performance is studied.     

基于滑动势能面的二维材料原子尺度摩擦行为的量化计算

近年来,二维材料优异的摩擦特性成为人们关注的焦点,然而目前缺乏理论上对其摩擦力进行快速、有效、精确的计算预测方法.本文提出采用密度泛函理论计算真实体系的滑动势能面,利用得到的"数值型势能面"替代传统的解析势函数,并结合Prandtl-Tomlinson模型,量化求解具有复杂形状势能面的真实二维材料体系的摩擦行为.基于该方法,揭示了原子力显微镜实验中观察到的石墨烯Moire纹超晶格结构的双周期"黏-滑"摩擦现象;理论预测了二维材料异质结构的层间超低摩擦现象,相对于同质材料,其静摩擦力和滑动摩擦力均成数量级降低,发现势能面起伏和驱动弹簧刚度均会影响层间相对滑动路径,进而对层间的摩擦行为产生影响.该方法同样可拓展到其他van der Waals作用主导的界面摩擦体系.     

Assessment of Timoshenko Beam Models for Vibrational Behavior of Single-Walled Carbon Nanotubes Using Molecular Dynamics

In this paper, we study the flexural vibration behavior of single-walled carbon nanotubes (SWCNTs) for the assessment of Timoshenko beam models. Extensive molecular dynamics (MD) simulations based on second-generation reactive empirical bond-order (REBO) potential and Timoshenko beam modeling are performed to determine the vibration frequencies for SWCNTs with various length-to-diameter ratios, boundary conditions, chiral angles and initial strain. The effectiveness of the local and nonlocal Timoshenko beam models in the vibration analysis is assessed using the vibration frequencies of MD simulations as the benchmark. It is shown herein that the Timoshenko beam models with properly chosen parameters are applicable for the vibration analysis of SWCNTs. The simulation results show that the fundamental frequencies are independent of the chiral angles, but the chirality has an appreciable effect on higher vibration frequencies. The SWCNTs is very sensitive to the initial strain even if the strain is extremely small.     

True atomic resolution under ambient conditions obtained by atomic force microscopy in the contact mode

2 ) has been investigated by contact-mode atomic force microscopy (AFM) in air. Both the terraces and the monolayer step itself were reproducibly imaged at atomic resolution in the repulsive-force regime at forces between tip apex and sample of the order of 10^-9 N. Several kinks were also imaged at atomic resolution. Details of the atomic registry of subsequent Se-Nb-Se sandwich layers as well as the arrangement of the individual atoms at the kink sites were resolved. The results are in perfect quantitative agreement with the lattice structure known from X-ray analysis and indicate that true atom-by-atom lateral resolution of microscopic defects is feasible by AFM in the contact mode and under ambient conditions. Published online: 10 February 1999