Force network ensemble: a new approach to static granular matter

An ensemble approach for force distributions in static granular packings is developed. This framework is based on the separation of packing and force scales, together with an a priori flat measure in the force phase space under the constraints that the contact forces are repulsive and balance on every particle. We show how the formalism yields realistic results, both for disordered and regular triangular "snooker ball" configurations, and obtain a shear-induced unjamming transition of the type proposed recently for athermal media.     

Sheared force networks: anisotropies, yielding, and geometry

A scenario for the yielding of granular matter is presented by considering the ensemble of force networks for a given contact network and applied shear stress tau. As tau is increased, the probability distribution of contact forces becomes highly anisotropic, the difference between average contact forces along minor and major axes grows, and the allowed networks span a shrinking subspace of all force networks. Eventually, contacts start to break, and at the maximal shear stress the packing becomes effectively isostatic. The size of the allowed subspace exhibits simple scaling properties, which lead to a prediction for the yield stress for packings of an arbitrary contact number.     

Elasticity from the force network ensemble in granular media

Transmission of forces in static granular materials is studied within the framework of the force network ensemble, by numerically evaluating the mechanical response of hexagonal packings of frictionless grains and rectangular packings of frictional grains. In both cases, close to the point of application of the overload, the response is nonlinear and displays two peaks, while at larger length scales, it is linear and elasticlike. The crossover between these two behaviors occurs at a depth that increases with the magnitude of the overload and decreases with increasing friction.     

Stress propagation through frictionless granular material

We examine the network of forces to be expected in a static assembly of hard, frictionless spherical beads of random sizes, such as a colloidal glass. Such an assembly is minimally connected: the ratio of constraint equations to contact forces approaches unity for a large assembly. However, the bead positions in a finite subregion of the assembly are underdetermined. Thus to maintain equilibrium, half of the exterior contact forces are determined by the other half. We argue that the transmission of force may be regarded as unidirectional, in contrast to the transmission of force in an elastic material. Specializing to sequentially deposited beads, we show that forces on a given buried bead can be uniquely specified in terms of forces involving more recently added beads. We derive equations for the transmission of stress averaged over scales much larger than a single bead. This derivation requires the ansatz that statistical fluctuations of the forces are independent of fluctuations of the contact geometry. Under this ansatz, the d(d+1)/2-component stress field can be expressed in terms of a d-component vector field. The procedure may be generalized to nonsequential packings. In two dimensions, the stress propagates according to a wave equation, as postulated in recent work elsewhere. We demonstrate similar wave-like propagation in higher dimensions, assuming that the packing geometry has uniaxial symmetry. In macroscopic granular materials we argue that our approach may be useful even though grains have friction and are not packed sequentially.     

Entropy of jammed matter

We investigate the nature of randomness in disordered packings of frictional spheres. We calculate the entropy of 3D packings through the force and volume ensemble of jammed matter, a mesoscopic ensemble and numerical simulations using volume fluctuation analysis and graph theoretical methods. Equations of state are obtained relating entropy, volume fraction and compactivity characterizing the different states of jammed matter. At the mesoscopic level the entropy vanishes at random close packing, while the microscopic states contribute to a finite entropy. The entropy of the jammed system reveals that the random loose packings are more disordered than random close packings, allowing for an unambiguous interpretation of both limits.     

Jamming as a critical phenomenon: a field theory of zero-temperature grain packings

A field theory of frictionless grain packings in two dimensions is shown to exhibit a zero-temperature critical point at a nonzero value of the packing fraction. The zero-temperature constraint of force balance plays a crucial role in determining the nature of the transition. Two order parameters, , the deviation of the average number of contacts from the isostatic value, and , the average magnitude of the force per contact, characterize the transition from the jammed (high packing fraction) to the unjammed (low packing fraction state). The critical point has a mixed character with the order parameters showing a jump discontinuity but with fluctuations of the contact force diverging. At the critical point, the distribution of phi shows the characteristic plateau observed in static granular piles. The theory makes falsifiable predictions about the spatial fluctuations of the contact forces.     

Contact forces in a granular packing

We present the results of a systematic numerical investigation of force distributions in granular packings. We find that all the main features of force transmission previously established for two-dimensional systems of hard particles hold in three-dimensional systems and for soft particles, too. In particular, the probability distribution of normal forces falls off exponentially for forces above the mean force. For forces below the mean, this distribution is either a decreasing power law when the system is far from static equilibrium, or nearly uniform at static equilibrium, in agreement with recent experiments. Moreover, we show that the forces below the mean do not contribute to the shear stress. The subnetwork of the contacts carrying a force below the mean thus plays a role similar to a fluid surrounding the solid backbone composed of the contacts carrying a force above the mean. We address the issue of the computation of contact forces in a packing at static equilibrium. We introduce a model with no local simplifying force rules, that allows for an exact computation of contact forces for given granular texture and boundary conditions. (c) 1999 American Institute of Physics.     

Packing of compressible granular materials

3D computer simulations and experiments are employed to study random packings of compressible spherical grains under external confining stress. In the rigid ball limit, we find a continuous transition in which the stress vanishes as (straight phi-straight phi(c))(beta), where straight phi is the (solid phase) volume density. The value of straight phi(c) depends on whether the grains interact via only normal forces (giving rise to random close packings) or by a combination of normal and friction generated transverse forces (producing random loose packings). In both cases, near the transition, the system's response is controlled by localized force chains.     

Effect of salt on the compression of polyelectrolyte brushes in a theta solvent

Classical strong-stretching theory (SST) predicts that, as opposing polyelectrolyte brushes are compressed together in a salt-free theta solvent, they contract so as to maintain a finite polymer-free gap, which offers a potential explanation for the ultra-low frictional forces observed in experiments despite the application of large normal forces. However, the SST ignores chain fluctuations, which would tend to close the gap resulting in physical contact and in turn significant friction. In a preceding study, we examined the effect of fluctuations using self-consistent field theory (SCFT) and illustrated that high normal forces can still be applied before the gap is destroyed. We now look at the effect of adding salt. It is found to reduce the long-range interaction between the brushes but has little effect on the short-range part, provided the concentration does not enter the salted-brush regime. Consequently, the maximum normal force between two planar brushes at the point of contact is remarkably unaffected by salt. For the crossed-cylinder geometry commonly used in experiments, however, there is a gradual reduction because in this case the long-range part of the interaction contributes to the maximum normal force.     

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.     

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.     

Contrasting friction and diffusion in molecularly thin confined films

We study, using fluorescence correlation spectroscopy, translational diffusion in molecularly thin liquids confined within a surface forces apparatus. The diffusion coefficient decreases exponentially from the edges towards the center of the Hertzian contact and further suggests the presence of a small number of distinct diffusion processes. This holds alike a crystallizable fluid (OMCTS) and a glass-former (1,2-propane diol), both of which displayed static friction. We conclude that friction, the average of an ensemble of molecules, masked massively heterogeneous molecular mobility.     

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.     

Jamming III: Characterizing randomness via the entropy of jammed matter

The nature of randomness in disordered packings of frictional and frictionless spheres is investigated using theory and simulations of identical spherical grains. The entropy of the packings is defined through the force and volume ensemble of jammed matter and this is shown to be difficult to calculate analytically. A mesoscopic ensemble of isostatic states is then utilized in an effort to predict the entropy through the definition of a volume function that is dependent on the coordination number. Equations of state are obtained relating entropy, volume fraction and compactivity characterizing the different states of jammed matter, and elucidating the phase diagram for jammed granular matter. Analytical calculations are compared to numerical simulations using volume fluctuation analysis and graph theoretical methods, with reasonable agreement. The entropy of the jammed system reveals that random loose packings are more disordered than random close packings, allowing for an unambiguous interpretation of both limits. Ensemble calculations show that the entropy vanishes at random close packing (RCP), while numerical simulations show that a finite entropy remains in the microscopic states at RCP. The notion of a negative compactivity, which explores states with volume fractions below those achievable by existing simulation protocols, is also explored, expanding the equations of state. The mesoscopic theory reproduces the simulations results in shape well, though a difference in magnitude implies that the entire entropy of the packing may not be captured by the methods presented herein. We discuss possible extensions to the present mesoscopic approach describing packings from random loose packing (RLP) to RCP to the ordered branch of the equation of state in an effort to understand the entropy of jammed matter in the full range of densities from RLP to face-centered cubic (FCC) packing.     

Fluctuations in granular media

Dense slowly evolving or static granular materials exhibit strong force fluctuations even though the spatial disorder of the grains is relatively weak. Typically, forces are carried preferentially along a network of "force chains." These consist of linearly aligned grains with larger-than-average force. A growing body of work has explored the nature of these fluctuations. We first briefly review recent work concerning stress fluctuations. We then focus on a series of experiments in both two- and three-dimension [(2D) and (3D)] to characterize force fluctuations in slowly sheared systems. Both sets of experiments show strong temporal fluctuations in the local stress/force; the length scales of these fluctuations extend up to 10(2) grains. In 2D, we use photoelastic disks that permit visualization of the internal force structure. From this we can make comparisons to recent models and calculations that predict the distributions of forces. Typically, these models indicate that the distributions should fall off exponentially at large force. We find in the experiments that the force distributions change systematically as we change the mean packing fraction, gamma. For gamma's typical of dense packings of nondeformable grains, we see distributions that are consistent with an exponential decrease at large forces. For both lower and higher gamma, the observed force distributions appear to differ from this prediction, with a more Gaussian distribution at larger gamma and perhaps a power law at lower gamma. For high gamma, the distributions differ from this prediction because the grains begin to deform, allowing more grains to carry the applied force, and causing the distributions to have a local maximum at nonzero force. It is less clear why the distributions differ from the models at lower gamma. An exploration in gamma has led to the discovery of an interesting continuous or "critical" transition (the strengthening/softening transition) in which the mean stress is the order parameter, and the mean packing fraction, gamma, must be adjusted to a value gamma(c) to reach the "critical point." We also follow the motion of individual disks and obtain detailed statistical information on the kinematics, including velocities and particle rotations or spin. Distributions for the azimuthal velocity, V(theta), and spin, S, of the particles are nearly rate invariant, which is consistent with conventional wisdom. Near gamma(c), the grain motion becomes intermittent causing the mean velocity of grains to slow down. Also, the length of stress chains grows as gamma-->gamma(c). The 3D experiments show statistical rate invariance for the stress in the sense that when the power spectra and spectral frequencies of the stress time series are appropriately scaled by the shear rate, Omega, all spectra collapse onto a single curve for given particle and sample sizes. The frequency dependence of the spectra can be characterized by two different power laws, P proportional, variant omega(-alpha), in the high and low frequency regimes: alpha approximately 2 at high omega; alpha<2 at low omega. The force distributions computed from the 3D stress time series are at least qualitatively consistent with exponential fall-off at large stresses. (c) 1999 American Institute of Physics.     

Thermal-induced edge barriers and forces in interlayer interaction of concentric carbon nanotubes

Molecular dynamics simulations reveal that thermal-induced edge barriers and forces can govern the interlayer interaction of double walled carbon nanotubes. As a result, friction in such systems depends on both the area of contact and the length of the contact edges. The latter effect is negligible in macroscopic friction and provides a feasible explanation for the seemingly contradictory laws of interlayer friction, which have been reported in the literature. The temperature-dependent edge forces can be utilized as a driving force in carbon nanotube thermal actuators, and has general implications for nanoscale friction and contact.     

Relationship between the real contact area and contact force in pre-sliding regime

The pre-sliding regime is typically neglected in the dynamic modelling of mechanical systems. However, the change in contact state caused by static friction may decrease positional accuracy and control precision. To investigate the relationship between contact status and contact force in pre-sliding friction, an optical experimental method is presented in this paper.With this method, the real contact state at the interface of a transparent material can be observed based on the total reflection principle of light by using an image processing technique. A novel setup, which includes a pair of rectangular trapezoidal blocks, is proposed to solve the challenging issue of accurately applying different tangential and normal forces to the contact interface. The improved Otsu's method is used for measurement. Through an experimental study performed on polymethyl methacrylate(PMMA), the quantity of contact asperities is proven to be the dominant factor that affects the real contact area. The relationship between the real contact area and the contact force in the pre-sliding regime is studied, and the distribution of static friction at the contact interface is qualitatively discussed. New phenomena in which the real contact area expands along with increasing static friction are identified. The aforementioned relationship is approximately linear at the contact interface under a constant normal pressure, and the distribution of friction stress decreases from the leading edge to the trailing edge.     

Elegance of disordered granular packings: a validation of Edward's hypothesis

We have found a way to analyze Edwards' density of states for static granular packings in the special case of round, rigid, frictionless grains assuming a constant coordination number. It obtains the most entropic density of single grain states, which predicts several observables including the distribution of contact forces. We compare these results against empirical data obtained in dynamic simulations of granular packings. The agreement is quite good, helping validate the use of statistical mechanics methods in granular physics. The differences between theory and empirics are mainly related to the coordination number, and when the empirical data are sorted by that number we obtain several insights that suggest an underlying elegance in the density of states.     

Stress fluctuations in monodisperse and bidisperse rapid granular shear flows

Local stress fluctuations are measured in annular rapid shear flows of granular medium made of steel spheres with 2 and 3 mm in diameter. Both monodisperse packing and bidisperse packing are investigated to reveal the influence of size diversity on intermittent features of granular materials. Experiments are conducted in an annulus that can contain up to 15 kg of the spherical steel balls. Shearing of granular medium takes place via the rotation of the upper plate which compresses the material loaded inside the annulus. Fluctuations of compressive force are locally measured at the bottom of the annulus based on piezoelectric phenomenon. Rapid shear flow experiments are pursued at different compressive forces and shear rates and the sensitivity of fluctuations is then investigated by different means through monodisperse and bidisperse packings.     

Fluctuations of Entropy Production in the Isokinetic Ensemble

We discuss, using computer simulation, the microscopic definition of entropy production rate in a model of a dissipative system: a sheared fluid in which the kinetic energy is kept constant via a Gaussian thermostat. The total phase space contraction rate is the sum of two statistically independent contributions: the first one is due to the work of the conservative forces, is independent of the driving force and does not vanish at zero drive, making the system nonconservative also in equilibrium. The second is due to the work of the dissipative forces, and is responsible for the average entropy production; the distribution of its fluctuations is found to verify the Fluctuation Relation of Gallavotti and Cohen. The distribution of the fluctuations of the total phase space contraction rate also verify the Fluctuation Relation. It is compared with the same quantity calculated in the isoenergetic ensemble: we find that the two ensembles are equivalent, as conjectured by many authors. Finally, we discuss the implication of our results for experiments trying to verify the validity of the FR.