We construct an exact kinetic theory for dilute aligning self-propelled particles by closing the BBGKY hierarchy non-locally, retaining the pair correlations during each collision. Mean-field closures miss these correlations entirely and predict a divergent self-diffusion coefficient. Our theory resolves this failure and agrees quantitatively with simulations. For aligning couplings, a physical regularization eliminates secular terms from diverging collision times. The theory yields effective Langevin equations with analytic noise correlations which is extrapolated to higher densities.
We develop the kinetic theory of dilute cohesive granular gases in which the attractive part is described by a square well potential. We derive the hydrodynamic equations from the kinetic theory with the microscopic expressions for the dissipation rate and the transport coefficients. We check the validity of our theory by performing the direct simulation Monte Carlo.
The existence of two stationary solutions of the nonlinear Boltzmann equation for inelastic hard spheres or disks is investigated. They are restricted neither to weak dissipation nor to small gradients. The one-particle distribution functions are assumed to have an scaling property, namely that all the position dependence occurs through the density and the temperature. At the macroscopic level, the state corresponding to both is characterized by uniform pressure, no mass flow, and a linear temperature profile. Moreover, the state exhibits two peculiar features. First, there is a relationship b…
The development of a coherent conceptual basis for the treatment of non-linear microscopic phenomena, such as, hydrodynamic interaction, finite extensibility, excluded volume and internal viscosity, in molecular theories of dilute polymer solutions, is discussed. In particular, recent advances in the treatment of hydrodynamic interaction are reviewed, and the successive refinements which have ultimately led to the prediction of universal viscometric functions in theta solvents are highlighted.
A kinetic theory for a dilute gas-solid suspension under a simple shear is developed. With the aid of the corresponding Boltzmann equation, it is found that the flow curve (stress-strain rate relation) has a S-shape as a crossover from the Newtonian to the Bagnoldian for a granular suspension or from the Newtonian to a fluid having a viscosity proportional to the square of the shear rate for a suspension consisting of elastic particles. The existence of the S-shape in the flow curve directly leads to a discontinuous shear thickening (DST). This DST corresponds to the discontinuous transition o…
Kinetic and hydrodynamic theories are widely employed for describing the collective behaviour of active matter systems. At the fluctuating level, these have been obtained from explicit coarse-graining procedures in the limit where each particle interacts weakly with many others, so that the total forces and torques exerted on each of them is of order unity at all times. Such limit is however not relevant for dilute systems that mostly interact via alignment; there, collisions are rare and make the self-propulsion direction to change abruptly. We derive a fluctuating kinetic theory, and the cor…
The spontaneous symmetry breaking taking place in the direction perpendicular to the energy flux in a dilute vibrofluidized granular system is investigated, using both a hydrodynamic description and simulation methods. The latter include molecular dynamics and direct Monte Carlo simulation of the Boltzmann equation. A marginal stability analysis of the hydrodynamic equations, carried out in the WKB approximation, is shown to be in good agreement with the simulation results. The shape of the hydrodynamic profiles beyond the bifurcation is discussed.
The Zimm equation for the position vector of a polymer segment is generalized taking into account the effect of viscous memory. The Oseen tensor is built on the basis of the nonstationary Navier-Stokes equation. After the preliminary averaging of the tensor a non-Markovian equation for the time correlation function of the Fourier components of the segment position is derived. The viscous memory essentially affects the long-time asymptote of the correlation function of the Fourier amplitudes of the chain fragments: the time behavior is of a fractional power character instead of the traditional …
The kinetic theory of gases provides methods for calculating Lyapunov exponents and other quantities, such as Kolmogorov-Sinai entropies, that characterize the chaotic behavior of hard-ball gases. Here we illustrate the use of these methods for calculating the Kolmogorov-Sinai entropy, and the largest positive Lyapunov exponent, for dilute hard-ball gases in equilibrium. The calculation of the largest Lyapunov exponent makes interesting connections with the theory of propagation of hydrodynamic fronts. Calculations are also presented for the Lyapunov spectrum of dilute, random Lorentz gases in…
A sequence of exact relations is found which connect one- and many-particle time-dependent distribution functions of low-density gas with their derivatives in respect to mean density. It is shown that, at least in the context of spatially non-uniform gas evolutions, these relations forbid the "molecular chaos propagation" and imply inapplicability of the Boltzmann kinetic equation even under the Boltzmann-Grad limit and regardless of degree of the non-uniformity.
We use the Boltzmann equation in the relaxation time approximation to study the expansion of a dilute Fermi gas at unitarity. We focus, in particular, on the approach to the hydrodynamic limit. Our main finding are: i) In the regime that has been studied experimentally hydrodynamic effects beyond the Navier-Stokes approximation are small, ii) mean field corrections to the Boltzmann equation are not important, iii) experimental data imply that freezeout occurs very late, that means that the relaxation time remains smaller than the expansion time during the entire evolution of the system, iv) th…
A dilute gas of particles with short range interactions is considered in a shearing stationary state. A Gaussian thermostat keeps the total kinetic energy constant. For infinitely many particles it is shown that the thermostat becomes a friction force with constant friction coefficient. For finite number of particles N, the fluctuations around this constant are of order one over the square root of N, and distributed approximately Gaussian with deviations for large fluctuations. These deviations prohibit a derivation of fluctuation-dissipation relations far from equilibrium, based on the Fluctu…
It is shown that early suggested derivation of the Boltzmann kinetic equation for dilute hard sphere gas from the time-reversible BBGKY equations is incorrect since in fact a priori substitutes for them definite irreversible equations. Alternative approach to analysis of the hard sphere gas is formulated which conserves the reversibility and makes it clear that at any gas density one can reduce the BBGKY equations to the Boltzmann equation only in case of spatially uniform gas.
We use guiding principles from nonequilibrium thermodynamics to develop an admissible set of 13 moment equations for rarefied gas flows. The main benefits of our thermodynamic approach are an explicit entropy expression fulfilling an $H$ theorem and a sound Hamiltonian formulation of the reversible free flight transport. To calculate the entropy and to find explicit closure approximations, we propose a simple set of approximate 13 parameter solutions to Boltzmann's kinetic equation. We discuss how standard hydrodynamics is recovered as a limiting case.
Starting from the kinetic equations for the fluctuations and correlations of a dilute gas of inelastic hard spheres or disks, a Boltzmann-Langevin equation for the one-particle distribution function of the homogeneous cooling state is constructed. This equation is the linear Boltzmann equation with a fluctuating white noise term. Balance equations for the fluctuating hydrodynamic fields are derived. New fluctuating forces appear as compared with the elastic limit. The particular case of the transverse velocity field is investigated in detail. Its fluctuations can be described by means of a Lan…
We present a mathematical formulation of kinetic boundary conditions for Lattice Boltzmann schemes in terms of reflection, slip, and accommodation coefficients. It is analytically and numerically shown that, in the presence of a non-zero slip coefficient, the Lattice Boltzmann flow develops a physical slip flow component at the wall. Moreover, it is shown that the slip coefficient can be tuned in such a way to recover quantitative agreement with analytical and experimental results up to second order in the Knudsen number.
We show that vertex corrections to the quasi-harmonic Green-Kubo theory of heat transport in insulators naturally lead to a generalisation of the expression for the conductivity that could be derived from the linearized Boltzmann equation, when the effects of the full scattering matrix are accounted for. Our results, which are obtained from the Mori-Zwanzig memory-function formalism, provide a fully ab initio derivation of the linearized Boltzmann transport equation and establish a connection between two recently proposed unified approaches to heat transport in insulating crystals and glasses.
We investigate two-fluid BGK kinetic methods for binary fluids. The developed theory works for asymmetric as well as symmetric systems. For symmetric systems it recovers Sirovich's theory and is summarized in models A and B. For asymmetric systems it contributes models C, D and E which are especially useful when the total masses and/or local temperatures of the two components are greatly different. The kinetic models are discretized based on an octagonal discrete velocity model. The discrete-velocity kinetic models and the continuous ones are required to describe the same hydrodynamic equation…
The velocity distribution function of the steady-state Boltzmann equation for hard-core molecules in the presence of a temperature gradient has been obtained explicitly to second order in density and the temperature gradient. Some thermodynamical quantities are calculated from the velocity distribution function for hard-core molecules and compared with those for Maxwell molecules and the steady-state Bhatnagar-Gross-Krook(BGK) equation. We have found qualitative differences between hard-core molecules and Maxwell molecules in the thermodynamical quantities, and also confirmed that the steady-s…
Finding reduced models of spatially-distributed chemical reaction networks requires an estimation of which effective dynamics are relevant. We propose a machine learning approach to this coarse graining problem, where a maximum entropy approximation is constructed that evolves slowly in time. The dynamical model governing the approximation is expressed as a functional, allowing a general treatment of spatial interactions. In contrast to typical machine learning approaches which estimate the interaction parameters of a graphical model, we derive Boltzmann-machine like learning algorithms to est…
We derive simple analytical expressions for the particle density $ρ(r)$ and the kinetic energy density $τ(r)$ for a system of noninteracting fermions in a $d-$dimensional isotropic harmonic oscillator potential. We test the Thomas-Fermi (TF, or local-density) approximation for the functional relation $τ[ρ]$ using the exact $ρ(r)$ and show that it locally reproduces the exact kinetic energy density $τ(r)$, {\it including the shell oscillations,} surprisingly well everywhere except near the classical turning point. For the special case of two dimensions (2D), we obtain the unexpected analytical …
This paper introduces the KineCluE code that implements the self-consistent mean-field theory for clusters of finite size. Transport coefficients are obtained as a sum over cluster contributions (in a cluster expansion formalism), each being individually computed with KineCluE. This method allows for the calculation of these coefficients beyond the infinitely dilute limit, and is an important step in bridging the gap between dilute and concentrated approaches. Inside a finite volume of space containing the components of a given cluster, all kinetic trajectories are accounted for in an exact ma…
Nonlinear kinetic equations are reviewed for a wide audience of specialists and postgraduate students in physics, mathematical physics, material science, chemical engineering and interdisciplinary research. Contents: The Boltzmann equation, Phenomenology and Quasi-chemical representation of the Boltzmann equation, Kinetic models, Discrete velocity models, Direct simulation, Lattice Gas and Lattice Boltzmann models, Minimal Boltzmann models for flows at low Knudsen number, Other kinetic equations: The Enskog equation for hard spheres, The Vlasov equation, The Fokker-Planck equation, Equations o…
The notion of duality between the hydrodynamic and kinetic (ghost) variables of lattice kinetic formulations of the Boltzmann equation is introduced. It is suggested that this notion can serve as a guideline in the design of matrix versions of the lattice Boltzmann equation in a physically transparent and computationally efficient way.
A dilute homogeneous 3D Fermi gas in the ground state is considered for the case of a repulsive pairwise interaction. The low-density (dilution) expansions for the kinetic and interaction energies of the system in question are calculated up to the third order in the dilution parameter. Similar to the recent results for a Bose gas, the calculated quantities turn out to depend on a pairwise interaction through the two characteristic lengths: the former, $a$, is the well-known s-wave scattering length, and the latter, $b$, is related to $a$ by $b=a-m (\partial a/\partial m)$, where $m$ stands for…
We propose a formal extension of thermodynamics and kinetic theories to a larger class of entropy functionals. Kinetic equations associated to Boltzmann, Fermi, Bose and Tsallis entropies are recovered as a special case. This formalism first provides a unifying description of classical and quantum kinetic theories. On the other hand, a generalized thermodynamical framework is justified to describe complex systems exhibiting anomalous diffusion. Finally, a notion of generalized thermodynamics emerges in the context of the the violent relaxation of collisionless stellar systems and two-dimension…
After considering the kinetical interaction principle (KIP) introduced in ref. Physica A {\bf296}, 405 (2001), we study in the Boltzmann picture, the evolution equation and the H-theorem for non extensive systems. The $q$-kinetics and the $κ$-kinetics are studied in detail starting from the most general non linear Boltzmann equation compatible with the KIP.
By means of continuous space Monte Carlo simulation we study conformational structures formed by star and comb heteropolymers during kinetics of folding from the coil to the globule, as well as the corresponding equilibrium states on going from the good to the poor solution. Particular examples of combs with hydrophobic backbone and hydrophilic side-groups (and vice versa), as well as stars with flexible and semi-stiff arms are studied. It is interesting to note that star-like conformations naturally appear for a comb polymer with a strongly hydrophobic backbone. We emphasise the crucial diffe…
The rheological properties for dilute and moderately dense granular binary mixtures of smooth, inelastic hard disks/spheres under uniform shear flow in steady state conditions are reported. The results are based on the Enskog kinetic theory, numerically solved by a dense gas extension of the Direct Simulation Monte Carlo method for dilute gases. These results are confronted to the ones also obtained by performing molecular dynamics simulations with very good agreement for the lower densities and higher coefficients of restitution. It appears that the range of densities for which the Enskog equ…
The modified Bogoliubov model where the primordial interaction is replaced by the t matrix is reinvestigated. It is shown to provide a negative value of the kinetic energy for a strongly interacting dilute Bose gas, contrary to the original Bogoliubov model. To clear up the origin of this failure, the correct values of the kinetic and interaction energies of a dilute Bose gas are calculated. It is demonstrated that both the problem of the negative kinetic energy and the ultraviolet divergence, dating back to the well-known paper of Lee, Yang and Huang, is connected with an inadequate picture o…
The significance of the recent finding of the velocity distribution function of the steady-state Boltzmann equation under a steady heat current obtained by Kim and Haykawa (J. Phys. Soc. Jpn. {\bf 72}, 1904 (2003)) is discussed. Through the stability analysis, it seems that the steady solution is stable. One of possible applications to the nonequiliburium Knudsen effect in which one cell at equilibrium is connected to another cell under the steady heat conduction is discussed. This solution apparently shows that steady-state thermodynamics proposed by Sasa and Tasaki cannot be used in a naive …
Is it possible to solve Boltzmann-type kinetic equations using only a small number of particles velocities? We introduce a novel techniques of solving kinetic equations with (arbitrarily) large number of particle velocities using only a lattice Boltzmann method on standard, low-symmetry lattices. The renormalized kinetic equation is validated with the exact solution of the planar Couette flow at moderate Knudsen numbers.
The system of our interest is a dilute binary mixture, in which we consider that the species have different temperatures as an initial condition. To study their time evolution, we use the full version of the Boltzmann equation, under the hypothesis of partial local equilibrium for both species. Neither a diffusion force nor mass diffusion appears in the system. We also estimate the time in which the temperatures of the components reach the full local equilibrium. In solving the Boltzmann equation, we imposed no assumptions on the collision term. We work out its solution by using the well known…
Thermodynamic properties of a fermionic system close to the unitarity limit, where the 2-body scattering length |a| approaches infinity is studied at high temperature Boltzmann regime. For dilute systems the virial expansion coefficients in the Boltzmann regime are expected, from general arguments, to be universal. A model independent finite temperature T calculation of the third virial coefficient b3(T) is presented. At the unitarity limit, b3(T) = -0.48 is an universal number. The energy density up to the third virial expansion is derived. These results are relevant for dilute neutron matter…
It is well known that the particular form of the two-particle correlation function, in the collisional integral of the classical Boltzmman equation, fix univocally the entropy of the system, which turn out to be the Boltzmann-Gibbs-Shannon entropy. In the ordinary relativistic Boltzmann equation, some standard generalizations, with respect its classical version, imposed by the special relativity, are customarily performed. The only ingredient of the equation, which tacitly remains in its original classical form, is the two-particle correlation function, and this fact imposes that also the rela…
We briefly review results on nonlinear kinetic equation of Boltzmann type which describe the evolution of wealth in a simple agents market. The mathematical structure of the underlying kinetic equations allows to use well-known techniques of wide use in kinetic theory of rarefied gases to obtain information on the process of relaxation to a stationary profile, as well as to identify simple interaction rules which are responsible of the formation of Pareto tails.
We develop a microscopic approach to the consistent construction of the kinetic theory of dilute weakly ionized gases of hydrogen-like atoms. The approach is based on the framework of the second quantization method in the presence of bound states of particles and the method of reduced description of relaxation processes. Within the approach we developed the first-order perturbation theory over the weak interaction for a system of kinetic equations for the Wigner distribution functions of free fermions of both kinds and their bound states, the hydrogen-like atoms. It is shown that the condition…
We introduce a fractional Fokker-Planck equation (FFPE) for Levy flights in the presence of an external field. The equation is derived within the framework of the subordination of random processes which leads to Levy flights. It is shown that the coexistence of anomalous transport and a potential displays a regular exponential relaxation towards the Boltzmann equilibrium distribution. The properties of the Levy-flight FFPE derived here are compared with earlier findings for subdiffusive FFPE. The latter is characterized by a non-exponential Mittag-Leffler relaxation to the Boltzmann distributi…
Kinetics of homogeneous nucleation and growth of copper precipitates under electron irradiation of Fe_{1-x}Cu_x alloys at concentrations x from 0.06 at.% to 0.4 at.% and temperatures T from 290 to 450C is studied using the kinetic Monte Carlo (KMC) simulations and the statistical theory of nucleation (STN). The conventional assumption about the similarity of mechanisms of precipitation under electron irradiation and during thermal aging is adopted. The earlier-developed ab initio model of interactions in Fe-Cu alloys is used for both the KMC simulations and the STN calculations. Values of the …
A non-perturbative analysis of the Bhatnagar-Gross-Krook (BGK) model kinetic equation for finite values of the Knudsen number is presented. This analysis indicates why discrete kinetic versions of the BGK equation, and notably the Lattice Boltzmann method, can provide semi-quantitative results also in the non-hydrodynamic, finite-Knudsen regime, up to $Kn\sim {\cal O}(1)$. This may help the interpretation of recent Lattice Boltzmann simulations of microflows, which show satisfactory agreement with continuum kinetic theory in the moderate-Knudsen regime.
In this paper we extend the Gaussian self-consistent method to permit study of the equilibrium and kinetics of conformational transitions for heteropolymers with any given primary sequence. The kinetic equations earlier derived by us are transformed to a form containing only the mean squared distances between pairs of monomers. These equations are further expressed in terms of instantaneous gradients of the variational free energy. The method allowed us to study exhaustively the stability and conformational structure of some periodic and random aperiodic sequences. A typical phase diagram of a…
The application of classical methods of statistical mechanics, originally developed by Ludwig Boltzmann in gas dynamics, to the description of social phenomena is a successful story that we try to outline in this paper. On one hand, it is nowadays a flourishing research line, which is more and more permeating different contexts such as the econophysics, sociophysics, biomathematics, transportation engineering to name just a few of them. On the other hand, it is a fascinating mathematical challenge, because it requires the interplay of various complementary expertises: modelling, model analysis…
For the spin-$\{1}{2}$ Fermi-Hubbard model we derive the kinetic equation valid for weak interactions by using time-dependent perturbation expansion up to second order. In recent theoretical and numerical studies the kinetic equation has been merely stated without further details. In this contribution we provide the required background material.
In this work we study the properties of a relativistic mixture of two non-reacting species in thermal local equilibrium. We use the full Boltzmann equation (BE) to find the general balance equations. Following conventional ideas in kinetic theory, we use the concept of chaotic velocity. This is a novel approach to the problem. The resulting equations will be the starting point of the calculation exhibiting the correct thermodynamic forces and the corresponding fluxes; these results will be published elsewhere.
Advanced kinetic theory with the Boltzmann-Curtiss equation provides a promising tool for polyatomic gas flows, especially for fluid flows containing inner structures, such as turbulence, polyatomic gas flows and others. Although a Hamiltonian-based distribution function was proposed for diatomic gas flow, a general distribution function for the generalized Boltzmann-Curtiss equations and polyatomic gas flow is still out of reach. With assistance from Boltzmann's entropy principle, a generalized Boltzmann-Curtiss distribution for polyatomic gas flow is introduced. The corresponding governing e…
The shearing instability of a dilute granular mixture composed of smooth inelastic hard spheres or disks is investigated. By using the Navier-Stokes hydrodynamic equations, it is shown that the scaled transversal velocity mode exhibits a divergent behaviour, similarly to what happens in one-component systems. The theoretical prediction for the critical size is compared with direct Monte Carlo simulations of the Boltzmann equations describing the system, and a good agreement is found. The total energy fluctuations in the vicinity of the transition are shown to scale with the second moment of th…
Exact solution to the hierarchy of nonlinear lattice Boltzmann (LB) kinetic equations in the stationary planar Couette flow is found at non-vanishing Knudsen numbers. A new method of solving LB kinetic equations which combines the method of moments with boundary conditions for populations enables to derive closed-form solutions for all higher-order moments. Convergence of results suggests that the LB hierarchy with larger velocity sets is the novel way to approximate kinetic theory.
Recently, a minimal kinetic model for fluid flow, known as entropic lattice Boltzmann method, has been proposed for the simulation of isothermal hydrodynamic flows. At variance with previous Lattice Boltzmann methods, the entropic version permits to describe the non-linear dynamics of short scales in a controlled and stable way. In this paper, we provide the first numerical evidence that the entropic lattice Boltzmann scheme provides a quantitatively correct description of the large-scale structures of two-dimensional turbulence, free of numerical instabilities. This indicates that the entropi…
Sustained external forces acting on a material provide additional mechanisms to evolve the state of the system, and these mechanisms do not necessarily obey the microscopic detailed balance. Therefore, standard methods to compute the thermodynamic and kinetic properties do not apply in such driven systems. The competition between these mechanisms and the standard thermally activated jumps leads to non-equilibrium steady states. We extend the Self-Consistent Mean Field theory to take into account forced atomic relocations (FARs) as a model of these additional kinetic mechanisms. The theory is a…
The Boltzmann equation for excess Cooper pairs above T_c is derived in the framework of the time-dependent Ginzburg-Landau (TDGL) theory using Langevin's approach of the stochastic differential equation. The Newton dynamic equation for the momentum dependent drift velocity is obtained and the effective drag force is determined by the energy dependent life time of the metastable Cooper pairs. The Newton equation gives just the Drude mobility for the fixed momentum of Cooper pairs. It is shown that the comparison with the well-known result for Aslamazov-Larkin paraconductivity and BCS treatment …
In this paper, we propose a Boltzmann-type kinetic description of mass-varying interacting multi-agent systems. Our agents are characterised by a microscopic state, which changes due to their mutual interactions, and by a label, which identifies a group to which they belong. Besides interacting within and across the groups, the agents may change label according to a state-dependent Markov-type jump process. We derive general kinetic equations for the joint interaction/label switch processes in each group. For prototypical birth/death dynamics, we characterise the transient and equilibrium kine…
A dilute two-dimensional (2D) Bose gas at zero temperature is studied by the method developed earlier by the authors. Low density expansions are derived for the chemical potential, ground state energy, kinetic and interaction energies. The expansion parameter is found to be a dimensionless in-medium scattering amplitude u obeying the equation 1/u+\ln u=-\ln(na^2π)-2γ, where na^2 and γare the gas parameter and the Euler constant, respectively. It is shown that the ground state energy is mostly kinetic in the low density limit; this result does not depend on a specific form of the pairwise inter…
