Stochastic Hard-Sphere Dynamics for Hydrodynamics of Non-Ideal Fluids
Aleksandar Donev, Berni J. Alder, Alejandro L. Garcia
备注：
This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 (LLNL-JRNL-401745). To appear in Phys. Rev. Lett. 2008
A novel stochastic fluid model is proposed with non-ideal structure factor consistent with compressibility, and adjustable transport coefficients. This Stochastic Hard Sphere Dynamics (SHSD) algorithm is a modification of the Direct Simulation Monte Carlo (DSMC) algorithm and has several computational advantages over event-driven hard-sphere molecular dynamics. Surprisingly, SHSD results in an equation of state and pair correlation function identical to that of a deterministic Hamiltonian system of penetrable spheres interacting with linear core pair potentials. The fluctuating hydrodynamic behavior of the SHSD fluid is verified for the Brownian motion of a nano-particle suspended in a compressible solvent.
Extensions to kinetic theory and hydrodynamic models are proposed that account for the existence of multi-particle contacts. In the presence of multi-particle contacts (involving elastic, reversible, potential contact energy), dissipation of the translational (kinetic) energy is reduced and a class of different models lead to deviations from the classical inelastic hard sphere (IHS) homogeneous cooling state (HCS), as examined here. The theoretical results are found to be in perfect agreement with the numerical simulations.
The equation of state for a two-dimensional hard-sphere gas is difficult to calculate by usual methods. In this paper we develop an approach for calculating the equation of state of hard-sphere gases, both for two- and three-dimensional cases. By regarding a hard-sphere gas as an ideal gas confined in a container with a multi-core (excluded sphere) boundary, we treat the hard-sphere interaction in an interacting gas as the boundary effect on an ideal quantum gas; this enables us to treat an interacting gas as an ideal one. We calculate the equation of state for a three-dimensional hard-sphere …
We present a computer simulation study on the crystal nucleation process in suspensions of hard spheres, fully taking into account the solvent hydrodynamics. If the dynamics of collodial crystallization were purely diffusive, the crystal nucleation rate densities would drop as the inverse of the solvent viscosity. However, we observe that the nucleation rate densities do not scale in this way, but are enhanced at high viscosities. This effect might explain the large discrepancy between the nuclation rate densities obtained by simulation and experiment that have reported in the literature so fa…
We study the radial distribution of pressure, density, temperature and flow velocity fields at different times in a two dimensional hard sphere gas that is initially at rest and disturbed by injecting kinetic energy in a localized region through large scale event driven molecular dynamics simulations. For large times, the growth of these distributions are scale invariant. The hydrodynamic description of the problem, obtained from the continuity equations for the three conserved quantities -- mass, momentum, and energy -- is identical to those used to describe the hydrodynamic regime of a blast…
Starting from a microscopic model of self-propelled hard spheres we use tools of non-equilibrium statistical mechanics and the kinetic theory of hard spheres to derive a Smoluchowski equation for interacting Active Brownian particles. We illustrate the utility of the statistical mechanics framework developed with two applications. First, we derive the steady state pressure of the hard sphere active fluid in terms of the microscopic parameters and second, we identify the critical density for the onset of motility-induced phase separation in this system. We show that both these quantities agree …
A gas of inelastic rough spheres admits a spatially homogeneous base state which turns into a hydrodynamic state after a finite relaxation time. We show that this relaxation time is hardly dependent on the degree of inelasticity but increases dramatically with decreasing roughness. An accurate description of translational-rotational velocity correlations at all times is also provided. At a given inelasticity, the roughness parameter can be tuned to produce a huge distortion from the Maxwellian distribution function. The results are obtained from a Grad-like solution of the Boltzmann-Enskog equ…
We discuss the analytical solution through the cavity method of a mean field model that displays at the same time an ideal glass transition and a set of jamming points. We establish the equations describing this system, and we discuss some approximate analytical solutions and a numerical strategy to solve them exactly. We compare these methods and we get insight into the reliability of the theory for the description of finite dimensional hard spheres.
Particles that are immersed in a fluid exchange momentum via the fluid, hence their Brownian motion is correlated. By means of multiparticle-collision dynamics simulations we study the interactions between two colloidal beads in a sheared fluid suspension. Recently, this topic has been addressed in experiments on colloidal particles trapped by optical tweezers in a microfluidic device [PRL, 103, 230602 (2009)] and theoretically by means of a Langevin model [Eur. Phys. J E, 33, 313 (2010)]. Although we neglect the rotational degrees of freedom of the colloids, and employ a very simple coupling …
The BBGKY hierarchy of equations for a particle interacting with ideal gas is analyzed in terms of irreducible many-particle correlations between gas atoms and the particle's motion. The transition to the hard-sphere interaction is formulated from viewpoint of the recently discovered exact relations connecting the correlations with the particle's probability distribution. Then the Boltzmann-Grad limit is considered and shown not to lead to the Bolzmann hierarchy and the molecular chaos, since correlations of all orders keep significant.in this limit, merely taking a singular form.
We analyze the stability of stationary solutions of a singular Vlasov type hydrodynamic equation (HE). This equation was derived (under suitable assumptions) as the hydrodynamical scaling limit of the Hamiltonian evolution of a system consisting of a massive piston immersed in an ideal gas of point particles in a box. We find explicit criteria for global stability as well as a class of solutions which are linearly unstable for a dense set of parameter values. We present evidence (but no proof) that when the mechanical system has initial conditions ``close'' to stationary stable solutions of th…
Conditions for the stability under linear perturbations around the homogeneous cooling state are studied for dilute granular gases of inelastic and rough hard disks or spheres with constant coefficients of normal ($α$) and tangential ($β$) restitution. After a formally exact linear stability analysis of the Navier--Stokes--Fourier hydrodynamic equations in terms of the translational ($d_t$) and rotational ($d_r$) degrees of freedom, the transport coefficients derived in the companion paper [A. Megías and A. Santos, "Hydrodynamics of granular gases of inelastic and rough hard disks or spheres. …
We propose new ideal hydrodynamics in the function space which describes a fluid composed of the 1+1 dimensional real scalar field in the framework of the stochastic variational method (SVM). In the derivation, the thermal equilibrium is assumed to the internal state of fluid elements in the function space of the scalar-field configuration. The deterministic trajectory of the functional fluid element is related to the functional generalization of the Bohmian trajectory in relativistic quantum field theory. To find the correspondence relation to standard hydrodynamics, a further coarse-graining…
Low-energy dynamics of many-body fracton excitations necessary to describe topological defects should be governed by a novel type of hydrodynamic theory. We use a Poisson bracket approach to systematically derive hydrodynamic equations from conservation laws of scalar theories with fracton excitations. We study three classes of theories. In the first class we introduce a general action for a scalar with a shift symmetry linear in the spatial coordinates, whereas the second one correspond with a complex scalar, while the third class serves as a toy model for disclinations and dislocations propa…
The transport coefficients for dilute granular gases of inelastic and rough hard disks or spheres with constant coefficients of normal ($α$) and tangential ($β$) restitution are obtained in a unified framework as functions of the number of translational ($d_t$) and rotational ($d_r$) degrees of freedom. The derivation is carried out by means of the Chapman--Enskog method with a Sonine-like approximation in which, in contrast to previous approaches, the reference distribution function for angular velocities does not need to be specified. The well-known case of purely smooth $d$-dimensional part…
It is shown that low Reynolds number fluid flows can cause suspended particles to respond as though they were in an equilibrium system with an effective potential. This general result follows naturally from the fact that different methods of moving particles in viscous fluids give rise to very different long-range flows. Two examples are discussed: electrophoretic `levitation' of a heavy charged sphere, for which a hydrodynamic `pseudo-potential' can be written in closed form, and quasi-two dimensional crystals of like-charged colloidal spheres which form near charged walls, whose apparent att…
An analytical model of non-Gaussian energy landscape of low-temperature fluids is developed based on the thermodynamics of the fluid of dipolar hard spheres. The entire excitation profile of the liquid, from the high temperatures to the point of ideal-glass transition, has been obtained from the Monte Carlo simulations. The fluid of dipolar hard spheres loses stability when reaching the point of ideal-glass transition transforming via a first-order transition into a columnar liquid phase of dipolar chains locally arranged in a body-centered tetragonal order.
The solution for the radial distribution of pressure, density, temperature and flow velocity fields in a blast wave propagating through a medium at rest, following an intense explosion, starting from hydrodynamic equations, is one of the classic problems in gas dynamics. However, there is very little direct verification of the theory and its assumptions from simulations of microscopic models. In this paper, we compare the results and assumptions of the hydrodynamic theory with results from large scale event driven molecular dynamics simulations of a hard sphere gas in three dimensions. We find…
In this work, we introduce an effective model for both ideal and viscous fluid dynamics within the framework of kinetic field theory (KFT). The main application we have in mind is cosmic structure formation where gaseous components need to be gravitationally coupled to dark matter. However, we expect that the fluid model is much more widely applicable. The idea behind the effective model is similar to that of smoothed particle hydrodynamics. By introducing mesoscopic particles equipped with a position, a momentum, and an enthalpy, we construct a free theory for such particles and derive suitab…
A grid-free variant of the Direct Simulation Monte Carlo (DSMC) method is proposed, named the Isotropic DSMC (I-DSMC) method, that is suitable for simulating dense fluid flows at molecular scales. The I-DSMC algorithm eliminates all grid artifacts from the traditional DSMC algorithm; it is Galilean invariant and microscopically isotropic. The stochastic collision rules in I-DSMC are modified to yield a non-ideal structure factor that gives consistent compressibility, as first proposed in [Phys. Rev. Lett. 101:075902 (2008)]. The resulting Stochastic Hard Sphere Dynamics (SHSD) fluid is empiric…
We consider a covariant formulation of field theories with Lifshitz scaling, and analyze the energy-momentum tensor and the scale symmetry Ward identity. We derive the equation of state and the ideal Lifshitz hydrodynamics in agreement with arXiv:1304.7481, where they were determined by using thermodynamics and symmetry properties. We construct the charged ideal Lifshitz hydrodynamics in the generating functional framework as well as in the gravitational holographic dual description. At the first viscous order, an analysis of the entropy current reveals two additional transport coefficients (o…
The dynamics of macroscopically homogeneous sheared suspensions of neutrally buoyant, non-Brownian spheres is investigated in the limit of vanishingly small Reynolds numbers using Stokesian dynamics. We show that the complex dynamics of sheared suspensions can be characterized as a chaotic motion in phase space and determine the dependence of the largest Lyapunov exponent on the volume fraction $ϕ$. The loss of memory at the microscopic level of individual particles is also shown in terms of the autocorrelation functions for the two transverse velocity components. Moreover, a negative correlat…
Many features of granular media can be modeled by a fluid of hard spheres with inelastic collisions. Under rapid flow conditions, the macroscopic behavior of grains can be described through hydrodynamic equations accounting for dissipation among the interacting particles. A basis for the derivation of hydrodynamic equations and explicit expressions appearing in them is provided by the Boltzmann kinetic theory conveniently modified to account for inelastic binary collisions. The goal of this review is to derive the hydrodynamic equations for a binary mixture of smooth inelastic hard spheres. A …
