Simple model of microscopic rolling friction

Rolling friction at a microscopic scale is studied with the help of a simple two-dimensional model. Molecular dynamics simulations show that rolling of spherical lubricant molecules exists only for concentrations lower than the concentration of a close-packed layer. At concentrations higher than a critical one due to jamming of lubricant molecules the rolling of nearest neighboring molecules is hindered. An optimal concentration exists which provides the minimum of kinetic friction. Methods for avoiding jamming and increasing the range of operation of rolling mechanism of friction are discussed.     

Friction and normal forces of model friction modifier additives in simulations of boundary lubrication

ABSTRACT

Interaction forces between solid surfaces are often mitigated by adsorbed molecules that control normal and friction forces at nanoscale separations. Molecular dynamics simulations were conducted of opposing semi-ordered monolayers of united-atom chains on sliding surfaces to relate friction and normal forces to imposed sliding velocity and inter-surface separation. Practical examples include adsorbed friction-modifier molecules in automatic transmission fluids. Friction scenarios in the simulations had zero, one, or two fluid layers trapped between adsorbed monolayers. Sliding friction forces increased with sliding velocity at each stable separation. Lower normal forces were obtained than in most previous nanotribology molecular simulations and were relatively independent of sliding speed. Distinguishing average frictional force from its fluctuations showed the importance of system size. Uniform velocities were obtained in the sliding direction across each adsorbed film, with a gradient across the gap containing trapped fluid. The calculated friction stress was consistent with measurements reported using a surface forces apparatus, indicating that drag between an adsorbed layer and trapped fluid can account sufficiently for sliding friction in friction modifier systems. An example is shown in which changes in molecular organisation parallel to the surface led to a large change in normal force but no change in friction force.     

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.     

A molecular dynamics investigation of dynamical heterogeneity in supercooled water

We investigate the presence of dynamical heterogeneity in supercooled water with molecular dynamics simulations using the new water model proposed by Mahoney and Jorgensen [M.W. Mahoney, W.L. Jorgensen J. Chem. Phys. 112, 8910 (2000)]. Prompted by recent theoretical results [J.P. Garrahan, D. Chandler, Phys. Rev. Lett. 89, 35704 (2002)] we study the dynamical aggregation of the least and the most mobile molecules. We find dynamical heterogeneity in supercooled water and string-like dynamics for the most mobile molecules. We also find the dynamical aggregation of the least mobile molecules. The two kinds of dynamical aggregation appear however to be very different. Characteristic times are different and evolve differently. String-like motions appear only for the most mobile molecules, a result predicted by the facilitation theory. The aggregation of the least mobile molecules is more organized than the bulk while the opposite is observed for the most mobile molecules.     

Modeling of dry sliding friction dynamics: from heuristic models to physically motivated models and back

After giving an overview of the different approaches found in the literature to model dry friction force dynamics, this paper presents a generic friction model based on physical mechanisms involved in the interaction of a large population of surface asperities and discusses the resulting macroscopic friction behavior. The latter includes the hysteretic characteristic of friction in the presliding regime, the velocity weakening and strengthening in gross-sliding regime, the frictional lag and the stick-slip behavior. Out of the generic model, which is shown to be a good, but rather computationally intensive, simulation tool, a simpler heuristic model, which we call the generalized Maxwell-slip friction, is deduced. This model is appropriate for quick simulation and control purposes being easy to implement and to identify. Both of the generic and heuristic model structures are compared, through simulations, with each other and with experimental data.     

Influence of solute mobility on dislocation motion I. Basic model

Dislocation motion in the real lattice of alloys is highly complex. In a certain temperature range the dynamic strain ageing phenomena have been reported. In this paper the influence of mobile solute atoms (as obstacles) on the motion of dislocation is analysed. Both processes are assumed to be thermally activated. A new model based on this assumption is proposed. The dislocation velocity and the friction stress (due to solute-dislocation interactions) are calculated. A change in the friction stress caused by solute mobility is discussed.     

Innere Reibung durch Mitschleppen von Punktfehlern. II

The internal friction caused by dragging of mobile point defects is examined for the case of strong point defect dislocation interaction. For the amplitude independent internal friction and for the amplitude dependent internal friction with low point defect concentration this yields qualitatively the same results as the opposite case of weak interaction. For large point defect concentration there is an additional damping by hysteresis.     

The Dynamics of Spreading at the Microscopic Scale

By Molecular Dynamics simulations, we study the dynamics ofspreading. Our numerical data are in agreement with experimentalobservations and allow to describe the microscopic details of the mechanism,in particular how the liquid molecules reach the solid substrate. Theseresults support the validity of the de Gennes-Cazabat model describing thespreading as a competition between the driving force due to the wallattraction and the friction between the liquid molecules and the solidatoms.     

Viscous friction in foams and concentrated emulsions under steady shear

We present a model for the viscous friction in foams and concentrated emulsions, subject to steady shear flow. First, we calculate the energy dissipated due to viscous friction inside the films between two neighboring bubbles or drops, which slide along each other in the flow. Next, from this energy we calculate the macroscopic viscous stress of the sheared foam or emulsion. The model predictions agree well with experimental results obtained with foams and emulsions.     

Multiple Ligand and Cell-Dependent States of Lateral Mobility of Plasmalemmal G Protein-Coupled Cholecystokinin Receptors

Lateral movement of receptor molecules in the plane of the plasmalemma has important implications for signal transduction and receptor regulation, yet mechanisms affecting such movement are not well understood. We have studied the lateral mobility of the G protein-coupled cholecystokinin (CCK) receptor expressed in the natural milieu of the rat pancreatic acinar cell and in a model cell system, the CHO-CCKR cell, after occupation with fluorescent agonist and antagonist. Lateral diffusion characteristics were distinct in each type of cell and for receptors occupied by each type of ligand, fluorescent agonist, rhodamine-Gly-[(Nle^28,31)CCK-26-33], and fluorescent antagonist, rhodamine-Gly-[(D-Trp³⁰,Nle^28,31)CCK-26-32]-phenethyl ester. Multiple states of mobility were detected for CCK receptors. The slowest population of mobile receptors on the CHO-CCKR cells moved at similar rates when occupied by both antagonist and agonist, while the faster-moving populations moved at a faster rate when occupied with antagonist than with agonist. The fastest component of mobile receptors may reflect unconstrained interactions of the antagonist-occupied receptors with signaling or anchoring structures, while the slowest component may represent the fraction of ligand-occupied receptors that ultimately undergo internalization. The intermediate mobility states may reflect receptor interactions with signal transduction and regulatory machinery. While only a single population of mobile receptors was demonstrable on the acinar cells, increased ligand concentrations (agonist and antagonist) resulted in increased percentages of mobile receptors, suggesting a stoichiometric limitation of immobilizing molecular constraints. Inhibition of protein kinase C had no significant effect on the lateral mobility of agonist-occupied CCK receptors.     

Internal friction and vulnerability of mixed alkali glasses

Based on a hopping model we show how the mixed alkali effect in glasses can be understood if only a small fraction c(V) of the available sites for the mobile ions is vacant. In particular, we reproduce the peculiar behavior of the internal friction and the steep fall ("vulnerability") of the mobility of the majority ion upon small replacements by the minority ion. The single and mixed alkali internal friction peaks are caused by ion-vacancy and ion-ion exchange processes. If c(V) is small, they can become comparable in height even at small mixing ratios. The large vulnerability is explained by a trapping of vacancies induced by the minority ions. Reasonable choices of model parameters yield typical behaviors found in experiments.     

Effects of a self-assembled monolayer on the sliding friction and adhesion of an Au surface

The friction and adhesion mechanisms with and without a self-assembled monolayer (SAM) in nanotribology were studied using molecular dynamics (MD) simulation. The MD model consisted of two gold planes with and without n-hexadecanethiol SAM chemisorbed to the substrate, respectively. The molecular trajectories, tilt angles, normal forces, and frictional forces of the SAM and gold molecules were evaluated during the frictional and relaxation processes for various parameters, including the number of CH₂ molecules, the interference magnitude, and whether or not the SAM lubricant was used. The various parameters are discussed with regard to frictional and adhesion forces, mechanisms, and molecular or atomic structural transitions. The stick–slip behavior of SAM chains can be completely attributed to the van der Waals forces of the chain/chain interaction. When the number of CH₂ molecules was increased, the SAM chains appeared to have bigger tilt angles at deformation. The magnitude of the strain energy that was saved and relaxed is proportional to the elastic deformable extent of the SAM molecules. The frictional force was higher for long chain molecules. With shorter SAM molecules, the adhesion force behavior was more stable during the compression and relaxation processes. A surface coated with a SAM can increase nano-device lifetimes by avoiding interface effects like friction and adhesion. PACS 52.65.Yy; 81.40.Pq; 81.16; 68.35.-p     

氢分子在几种高铬镍合金钢中微扩散所引起的内耗峰

用扭摆作内耗测量,发现八种高铬镍合金钢中含氢可以引起内耗峰。当振动频率约为每秒1.5周时,内耗峰的巅值温度在610—640℃附近。用其中一种高铬镍合金钢试样(18Cr 12Ni)进行了系统的实验,指出这个内耗峰的基元过程是一种弛豫过程,所包含的激活能约为46,000—50,000卡/克分子。根据激活能的数值以及内耗峰在升温、降温和保温时的变化情况,可以认为这个新内耗峰是由於氢分子在钢中微扩散所引起来的。内耗测量的结果也指出了在18Cr 12Ni钢中在特定的升温、降温速度下氢分子舆氢原子的转变温度范围,所得的结果舆资料上的相合。     

Langevin model of the rotational diffusion of molecules

Globular molecules in dense gases, liquids, and orientationally disordered crystals experience an incessant fluctuating torque of rather weak magnitude. In gases and liquids the fluctuating torque perturbs the otherwise free rotational motion which becomes diffusive. We treat the rotational diffusion within the Langevin model where the molecules are driven by a stochastic torque and hindered by a friction term. The Langevin equation for molecules with one, two, and three angular degrees of freedom is solved numerically and the dipole and Raman correlation functions are extracted. In the one-dimensional case we compare with the exact solution of the Langevin equation, in two and three dimensions with earlier work and with experimental results.     

扩展位错低频内耗的模型

本文提出面心立方合金中扩展位错引起低频内耗峰的一个模型,用来解释高浓度Cu-Al和Cu-Zn合金经过冷加工后在210K附近出现的弛豫型内耗峰(测量频率约为1Hz)。文中指出,扩展位错在外力作用下的运动,可以分解为相对运动(两个部分位错之间的相对位移)和整体运动(扩展位错中心的位移)。除了考虑两个部分位错之间交互作用引起的回复力和位错线张力引起的回复力以外,本文引入了邻近位错之间长程交互作用引起的回复力,并且论证了这种回复力只影响扩展位错的整体运动,但不影响其相对运动。扩展位错的相对运动和整体运动,分别导致相对运动内耗峰和整体运动内耗峰。二者峰温相近。实验上观察到的内耗峰是这两个内耗峰的叠加。本文模型的推论与实验结果相符。 关键词：     

The influence of microslip on vibratory response,Part II: A comparison with experimental results

The influence of microslip on the resonant response of structures that are restrained by a friction contact is discussed. Microslip or partial slip of the friction interface becomes important and needs to be taken into account when the friction contact pressure is large. A new model of microslip described in the companion paper [1] is used in simulating the vibratory response of three sets of experiments; in each case partial slip of the friction interface resolves anomalies that could not be explained by the simple point contact model of friction that has been used in the past to analyze these types of problems.     

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.     

描述蠕变过程中内耗的四参量模型

实验表明:蠕变过程中的内耗兼有Maxwell二参量模型的性质和滞弹性三参量模型的性质。本文提出一个用以描述蠕变过程中内耗的四参量模型。由此模型推导出的内耗表达式为Q^-1=1/(ωτ₁)+△(ωτ₂)/(1+ω²τ₂²),式中ω为测量圆频率,τ₁和τ₂分别为粘弹性内耗和滞弹性内耗的弛豫时间,△为弛豫强度。这个内耗表达式可以满意地说明蠕 关键词：     

Formation of interface bubbles in bonded silicon wafers: A thermodynamic model

A thermodynamic model of the formation of unbonded areas or bubbles generated at the interface of bonded silicon wafers in the temperature range of 200–800°C is presented. Within this model it is assumed that the desorption of hydrocarbon contamination at the silicon wafer surfaces leads to small hydrocarbon molecules which are mobile at the bonding interface. When the vapor pressure generated by these molecules overcomes the interface bonding strength, interface bubbles are nucleated. These bubbles grow by incorporating further hydrocarbon and also possible hydrogen molecules. The model semiquantitatively explains all the essential features of interface bubble formation observed experimentally.