Elastic Hard Spheres Research Articles

Rheology of granular particles immersed in a molecular gas under uniform shear flow.

Non-Newtonian transport properties of a dilute gas of inelastic hard spheres immersed in a molecular gas are determined. We assume that the granular gas is sufficiently rarefied, and hence the state of the molecular gas is not disturbed by the presence of the solid particles. In this situation, one can treat the molecular gas as a bath (or thermostat) of elastic hard spheres at a given temperature. Moreover, in spite of the fact that the number density of grains is quite small, we take into account their inelastic collisions among themselves in its kinetic equation. The system (granular gas plus a bath of elastic hard spheres) is subjected to a simple (or uniform) shear flow. In the low-density regime, the rheological properties of the granular gas are determined by solving the Boltzmann kinetic equationby means of Grad's moment method. These properties turn out to be highly nonlinear functions of the shear rate and the remaining parameters of the system. Our results show that the kinetic granular temperature and the non-Newtonian viscosity present a discontinuous shear thickening effect for sufficiently high values of the mass ratio m/m_{g} (m and m_{g} being the mass of grains and gas particles, respectively). This effect becomes more pronounced as the mass ratio m/m_{g} increases. In particular, in the Brownian limit (m/m_{g}→∞) the expressions of the non-Newtonian transport properties derived here are consistent with those previously obtained by considering a coarse-grained approach where the effect of gas phase on grains is through an effective force. Theoretical results are compared against computer simulations, showing an excellent agreement.

Exact Results for Non-Newtonian Transport Properties in Sheared Granular Suspensions: Inelastic Maxwell Models and BGK-Type Kinetic Model.

The Boltzmann kinetic equation for dilute granular suspensions under simple (or uniform) shear flow (USF) is considered to determine the non-Newtonian transport properties of the system. In contrast to previous attempts based on a coarse-grained description, our suspension model accounts for the real collisions between grains and particles of the surrounding molecular gas. The latter is modeled as a bath (or thermostat) of elastic hard spheres at a given temperature. Two independent but complementary approaches are followed to reach exact expressions for the rheological properties. First, the Boltzmann equation for the so-called inelastic Maxwell models (IMM) is considered. The fact that the collision rate of IMM is independent of the relative velocity of the colliding spheres allows us to exactly compute the collisional moments of the Boltzmann operator without the knowledge of the distribution function. Thanks to this property, the transport properties of the sheared granular suspension can be exactly determined. As a second approach, a Bhatnagar-Gross-Krook (BGK)-type kinetic model adapted to granular suspensions is solved to compute the velocity moments and the velocity distribution function of the system. The theoretical results (which are given in terms of the coefficient of restitution, the reduced shear rate, the reduced background temperature, and the diameter and mass ratios) show, in general, a good agreement with the approximate analytical results derived for inelastic hard spheres (IHS) by means of Grad's moment method and with computer simulations performed in the Brownian limiting case (m/mg→∞, where mg and m are the masses of the particles of the molecular and granular gases, respectively). In addition, as expected, the IMM and BGK results show that the temperature and non-Newtonian viscosity exhibit an S shape in a plane of stress-strain rate (discontinuous shear thickening, DST). The DST effect becomes more pronounced as the mass ratio m/mg increases.

Simple fluid with broken time-reversal invariance.

We characterize a system of hard spheres with a simple collision rule that breaks time-reversal symmetry but conserves energy. The collisions lead to an achiral, isotropic, and homogeneous stationary state whose properties are determined in simulations and compared to an approximate theory originally developed for elastic hard spheres. In the nonequilibrium fluid state, velocities are correlated, a phenomenon known from other nonequilibrium stationary states. The correlations are long-ranged decaying like 1/r^{D} in D dimensions. Such correlations are expected on general grounds far from equilibrium and had previously been observed in driven or nonstationary systems.

Kinetic theory of granular particles immersed in a molecular gas

The transport coefficients of a dilute gas of inelastic hard spheres immersed in a gas of elastic hard spheres (molecular gas) are determined. We assume that the number density of the granular gas is much smaller than that of the surrounding molecular gas, so that the latter is not affected by the presence of the granular particles. In this situation, the molecular gas may be treated as a thermostat (or bath) of elastic hard spheres at a fixed temperature. The Boltzmann kinetic equation is the starting point of the present work. The first step is to characterise the reference state in the perturbation scheme, namely the homogeneous state. Theoretical results for the granular temperature and kurtosis obtained in the homogeneous steady state are compared against Monte Carlo simulations showing a good agreement. Then, the Chapman–Enskog method is employed to solve the Boltzmann equation to first order in spatial gradients. In dimensionless form, the Navier–Stokes–Fourier transport coefficients of the granular gas are given in terms of the mass ratio$m/m_g$($m$and$m_g$being the masses of a granular and a gas particle, respectively), the (reduced) bath temperature and the coefficient of restitution. Interestingly, previous results derived from a suspension model based on an effective fluid–solid interaction force are recovered in the Brownian limit ($m/m_g \to \infty$). Finally, as an application of the theory, a linear stability analysis of the homogeneous steady state is performed showing that this state is always linearly stable.

Li-Ion Permeability of Holey Graphene in Solid State Batteries: A Particle Dynamics Study.

Lithium (Li)-ion permeability of holey graphene (hG) for use as an electrically conducting scaffold in solid-state battery electrodes is explored through the means of a particle dynamics simulation model. While carbon materials do not typically exhibit Li-ion conductivity, the unique structural motif of hG, which consists of two-dimensional nanosheets with arrays of through-thickness holes, may present an opportunity for Li-ion conductors (i.e., solid electrolyte (SE) particles) to make contacts through the holes. In our model, the SE is presented as a system of hard elastic spheres conductive to Li-ions. The SE spheres are in contact with each other through compression between two plane current collectors. One hG layer is inserted between the current collectors and parallel to them. Randomly distributed circular holes in the hG allow for contact between the SE particles on both sides of the hG layer. By solving the Li-ion conducting network formed between the electrodes through the contact points of all the particles, the overall conductivity of the system was calculated as a function of SE particle size and the size and number of the hG holes (i.e., hG porosity). A critical ratio of around 4 between the SE particle size and the pore size was found. Below this critical value, the hG layer becomes practically transparent for Li-ions. This study helps to guide the design of highly efficient solid-state electrode composition and architectures using hG as a unique electrically conducting scaffold.

Silo discharge of mixtures of soft and rigid grains.

We study the outflow dynamics and clogging phenomena of mixtures of soft, elastic low-friction spherical grains and hard frictional spheres of similar size in a quasi-two-dimensional (2D) silo with narrow orifice at the bottom. Previous work has demonstrated the crucial influence of elasticity and friction on silo discharge. We show that the addition of small amounts, even as low as 5%, of hard grains to an ensemble of soft, low-friction grains already has significant consequences. The mixtures allow a direct comparison of the probabilities of the different types of particles to clog the orifice. We analyze these probabilities for the hard, frictional and the soft, slippery grains on the basis of their participation in the blocking arches, and compare outflow velocities and durations of non-permanent clogs for different compositions of the mixtures. Experimental results are compared with numerical simulations. The latter strongly suggest a significant influence of the inter-species particle friction.

Kinetic model for a confined quasi-two-dimensional gas of inelastic hard spheres

The local balance equations for the density, momentum, and energy of a dilute gas of elastic or inelastic hard spheres, strongly confined between two parallel hard plates are obtained. The starting point is a Boltzmann-like kinetic equation, recently derived for this system. As a consequence of the confinement, the pressure tensor and the heat flux contain, in addition to the terms associated to the motion of the particles, collisional transfer contributions, similar to those that appear beyond the dilute limit. The complexity of these terms, and of the kinetic equation itself, compromise the potential of the equation to describe the rich phenomenology observed in this kind of systems. For this reason, a simpler model equation based on the Boltzmann equation is proposed. The model is formulated to keep the main properties of the underlying equation, and it is expected to provide relevant information in more general states than the original equation. As an illustration, the solution describing a macroscopic state with uniform temperature, but a density gradient perpendicular to the plates is considered. This is the equilibrium state for an elastic system, and the inhomogeneous cooling state for the case of inelastic hard spheres. The results are in good agreement with previous results obtained directly from the Boltzmann equation.

A Formal Passage From a System of Boltzmann Equations for Mixtures Towards a Vlasov-Euler System of Compressible Fluids

A formal asymptotics leading from a system of Boltzmann equations for mixtures towards either Vlasov-Navier-Stokes or Vlasov-Stokes equations of incompressible fluids was established by the same authors and Etienne Bernard in: A Derivation of the Vlasov-Navier-Stokes Model for Aerosol Flows from Kinetic Theory Commun. Math. Sci., 15: 1703–1741 (2017) and A Derivation of the Vlasov-Stokes System for Aerosol Flows from the Kinetic Theory of Binary Gas Mixtures. KRM, 11: 43–69 (2018). With the same starting point but with a different scaling, we establish here a formal asymptotics leading to the Vlasov-Euler system of compressible fluids. Explicit formulas for the coupling terms are obtained in two typical situations: for elastic hard spheres on one hand, and for collisions corresponding to the inelastic interaction with a macroscopic dust speck on the other hand.

The Enskog Equation for Confined Elastic Hard Spheres

A kinetic equation for a system of elastic hard spheres or disks confined by a hard wall of arbitrary shape is derived. It is a generalization of the modified Enskog equation in which the effects of the confinement are taken into account and it is supposed to be valid up to moderate densities. From the equation, balance equations for the hydrodynamic fields are derived, identifying the collisional transfer contributions to the pressure tensor and heat flux. A Lyapunov functional, $\mathcal{H}[f]$, is identified. For any solution of the kinetic equation, $\mathcal{H}$ decays monotonically in time until the system reaches the inhomogeneous equilibrium distribution, that is a Maxwellian distribution with a the density field consistent with equilibrium statistical mechanics.

Boltzmann equation for granular media with thermal force in a weakly inhomogeneous setting

In this paper, we consider the spatially inhomogeneous diffusively driven inelastic Boltzmann equation in different cases: the restitution coefficient can be constant or can depend on the impact velocity (which is a more physically relevant case), including in particular the case of viscoelastic hard spheres. In the weak thermalization regime, i.e. when the diffusion parameter is sufficiently small, we prove existence of global solutions considering the close-to-equilibrium regime as well as the weakly inhomogeneous regime in the case of a constant restitution coefficient. It is the very first existence theorem of global solution in an inelastic “collision regime” (that is excluding [1] where an existence theorem is proven in a near to the vacuum regime). We also study the long-time behavior of these solutions and prove a convergence to equilibrium with an exponential rate. The basis of the proof is the study of the linearized equation. We obtain a new result on it, we prove existence of a spectral gap in weighted (stretched exponential and polynomial) Sobolev spaces and a result of exponential stability for the semigroup generated by the linearized operator. To do that, we develop a perturbative argument around the spatially inhomogeneous equation for elastic hard spheres and we take advantage of the recent paper [14] where this equation has been considered. We then link the linearized theory with the nonlinear one in order to handle the full non-linear problem thanks to new bilinear estimates on the collision operator that we establish. As far as the case of a constant coefficient is concerned, the present paper largely improves similar results obtained in [20] in a spatially homogeneous framework. Concerning the case of a non-constant coefficient, this kind of results is new and we use results on steady states of the linearized equation from [5] .

Velocity and energy distributions in microcanonical ensembles of hard spheres.

In a microcanonical ensemble (constant NVE, hard reflecting walls) and in a molecular dynamics ensemble (constant NVEPG, periodic boundary conditions) with a number N of smooth elastic hard spheres in a d-dimensional volume V having a total energy E, a total momentum P, and an overall center of mass position G, the individual velocity components, velocity moduli, and energies have transformed beta distributions with different arguments and shape parameters depending on d,N,E, the boundary conditions, and possible symmetries in the initial conditions. This can be shown marginalizing the joint distribution of individual energies, which is a symmetric Dirichlet distribution. In the thermodynamic limit the beta distributions converge to gamma distributions with different arguments and shape or scale parameters, corresponding respectively to the Gaussian, i.e., Maxwell-Boltzmann, Maxwell, and Boltzmann or Boltzmann-Gibbs distribution. These analytical results agree with molecular dynamics and Monte Carlo simulations with different numbers of hard disks or spheres and hard reflecting walls or periodic boundary conditions. The agreement is perfect with our Monte Carlo algorithm, which acts only on velocities independently of positions with the collision versor sampled uniformly on a unit half sphere in d dimensions, while slight deviations appear with our molecular dynamics simulations for the smallest values of N.

Microscopic and soliton-like solutions of the Boltzmann--Enskog and generalized Enskog equations for elastic and inelastic hard spheres

N. N. Bogolyubov discovered that the Boltzmann--Enskog kinetic equation has microscopic solutions. They have the form of sums of delta-functions and correspond to trajectories of individual hard spheres. But the rigorous sense of the product of the delta-functions in the collision integral was not discussed. Here we give a rigorous sense to these solutions by introduction of a special regularization of the delta-functions. The crucial observation is that the collision integral of the Boltzmann--Enskog equation coincides with that of the first equation of the BBGKY hierarchy for hard spheres if the special regularization to the delta-functions is applied. This allows to reduce the nonlinear Boltzmann--Enskog equation to the BBGKY hierarchy of linear equations in this particular case. Also we show that similar functions are exact smooth solutions for the recently proposed generalized Enskog equation. They can be referred to as ``particle-like'' or ``soliton-like'' solutions and are analogues of multisoliton solutions of the Korteweg--de Vries equation.

Structure factors in granular experiments with homogeneous fluidization

Velocity and density structure factors are measured over a hydrodynamic range of scales in a horizontal quasi-2D fluidized granular experiment, with packing fractions φ ∈ [10%, 40%]. The fluidization is realized by vertically vibrating a rough plate, on top of which particles perform a Brownian-like horizontal motion in addition to inelastic collisions. On one hand, the density structure factor is equal to that of elastic hard spheres, except in the limit of large length-scales, as it occurs in the presence of an effective interaction. On the other hand, the velocity field shows a more complex structure which is a genuine expression of a non-equilibrium steady state and which can be compared to a recent fluctuating hydrodynamic theory with non-equilibrium noise. The temporal decay of velocity modes autocorrelations is compatible with linear hydrodynamic equations with rates dictated by viscous momentum diffusion, corrected by a typical interaction time with the thermostat. Equal-time velocity structure factors display a peculiar shape with a plateau at large length-scales and another one at small scales, marking two different temperatures: the "bath" temperature T(b), depending on shaking parameters, and the "granular" temperature T(g) < T(b), which is affected by collisions. The two ranges of scales are separated by a correlation length which grows with φ, after proper rescaling with the mean free path.

10.1007/s11470-008-2013-3

The one-dimensional steady-state heat flux and the temperature distribution in a rarefied gas mixture between two parallel plates with different temperatures are studied using the kinetic theory. The Boltzmann equation is solved by the projection method assuming that the gas consists of elastic hard spheres and the reflection from the surfaces is diffuse. The flow features are analyzed for a wide range of the Knudsen number. The molecular numerical densities of the components, the total temperature of the mixture, and the mixture heat flux are obtained. The behavior of the distribution functions for the components is discussed. A comparison with other authors’ results shows that the accuracy of the given method is good.

Dynamical transportation of Si particles produced by pulsed laser ablation in the mixture of two inert gases

Assuming the ambient atoms and ablated particles are elastic hard-spheres, the transportation of Si particles produced by single-pulsed laser ablation in the mixture of two inert gases is numerically simulated via Monte Carlo method. The influence of the mixed atomic ratio (MAR) of the two gases on the oscillating stabilisation time (OST) of the high density mixed region of Si vapour and ambient gas is investigated. The result shows that the MAR, satisfying that average atomic mass of the ambient sufficiently approaches to Si atomic mass, induces the shortest OST and therefore the smallest average size of Si nanoparticles, as indicated in the previous experimental observation.

Transport coefficients for the hard-sphere granular fluid

In the preceding paper, linear response methods have been applied to obtain formally exact expressions for the parameters of Navier-Stokes order hydrodynamics. The analysis there is general, applying to both normal and granular fluids with a wide range of collision rules. Those results are specialized here to the case of smooth, inelastic, hard spheres with constant coefficient of normal restitution, for further elaboration. Explicit expressions for the cooling rate, pressure, and transport coefficients are given and compared with the corresponding expressions for a system of elastic hard spheres. The scope of the results for further analytical explorations and possible numerical evaluation is discussed.

Heat transfer in a gas mixture between parallel plates

The one-dimensional steady-state heat flux and the temperature distribution in a rarefied gas mixture between two parallel plates with different temperatures are studied using the kinetic theory. The Boltzmann equation is solved by the projection method assuming that the gas consists of elastic hard spheres and the reflection from the surfaces is diffuse. The flow features are analyzed for a wide range of the Knudsen number. The molecular numerical densities of the components, the total temperature of the mixture, and the mixture heat flux are obtained. The behavior of the distribution functions for the components is discussed. A comparison with other authors’ results shows that the accuracy of the given method is good.

Accelerated Simulation of a Heavy Particle in a Gas of Elastic Spheres

A new, accelerated algorithm for a system of elastic hard spheres in which one of the particles (a colloid) is significantly heavier than the others is presented. The algorithm follows the framework of the stochastic heterogeneous multiscale method. In the limit in which the ratio between the light and the heavy particles approaches zero, the dynamics of the colloid is given by a stochastic differential equation whose drift and diffusion coefficients are not known explicitly. It is shown that these coefficients can be calculated on the fly using short-time event-driven simulations, thereby allowing us to simulate the stochastic differential equation for the colloid. The efficiency of the resulting scheme is independent of the mass ratio. A few numerical examples, which serve as a proof of principle, are presented. The examples demonstrate that our results are consistent with analytical predictions in the ideal gas limit. A result of a simulation with a dense gas is also presented.

Granular mixtures modeled as elastic hard spheres subject to a drag force

Granular gaseous mixtures under rapid flow conditions are usually modeled as a multicomponent system of smooth inelastic hard disks (two dimensions) or spheres (three dimensions) with constant coefficients of normal restitution alpha{ij}. In the low density regime an adequate framework is provided by the set of coupled inelastic Boltzmann equations. Due to the intricacy of the inelastic Boltzmann collision operator, in this paper we propose a simpler model of elastic hard disks or spheres subject to the action of an effective drag force, which mimics the effect of dissipation present in the original granular gas. For each collision term ij, the model has two parameters: a dimensionless factor beta{ij} modifying the collision rate of the elastic hard spheres, and the drag coefficient zeta{ij}. Both parameters are determined by requiring that the model reproduces the collisional transfers of momentum and energy of the true inelastic Boltzmann operator, yielding beta{ij}=(1+alpha{ij})2 and zeta{ij} proportional, variant1-alpha{ij}/{2}, where the proportionality constant is a function of the partial densities, velocities, and temperatures of species i and j. The Navier-Stokes transport coefficients for a binary mixture are obtained from the model by application of the Chapman-Enskog method. The three coefficients associated with the mass flux are the same as those obtained from the inelastic Boltzmann equation, while the remaining four transport coefficients show a general good agreement, especially in the case of the thermal conductivity. The discrepancies between both descriptions are seen to be similar to those found for monocomponent gases. Finally, the approximate decomposition of the inelastic Boltzmann collision operator is exploited to construct a model kinetic equation for granular mixtures as a direct extension of a known kinetic model for elastic collisions.

Relation between size-distribution of Si nanoparticles and oscillation-stabilization time of the mixed region produced during laser ablation

Assuming Si particles and ambient atoms are elastic hard-spheres, the transportation in ambient gas of Si particles obtained by single-pulsed laser ablation is numerically simulated via Monte Carlo method to investigate the influence of the ambient species and the target-to-substrate distance on the oscillation-stabilization time (OST) of the mixed region. It is found that the ambient gas whose atomic weight is close to that of Si atom can induce the shortest OST; with increasing of the target-to-substrate distance, the OST at first decreases to its minimum, and then begins to increase. Incorporating with some experimental results on size-consistency of Si nanoparticles in pulsed laser ablation, it may be concluded that the shorter the OST of the mixed region, the more uniform the as-formed Si nanoparticles in size.