To illustrate Boltzmanns construction of an entropy function that is defined for a single microstate of a system, we present here the simple example of the free expansion of a one dimensional gas of hard point particles. The construction requires one to define macrostates, corresponding to macroscopic observables. We discuss two different choices, both of which yield the thermodynamic entropy when the gas is in equilibrium. We show that during the free expansion process, both the entropies converge to the equilibrium value at long times. The rate of growth of entropy, for the two choice of macrostates, depends on the coarse graining used to define them, with different limiting behaviour as the coarse graining gets finer. We also find that for only one of the two choices is the entropy a monotonically increasing function of time. Our system is non-ergodic, non-chaotic and essentially non-interacting; our results thus illustrate that these concepts are not very relevant for the question of irreversibility and entropy increase. Rather, the notions of typicality, large numbers and coarse-graining are the important factors. We demonstrate these ideas through extensive simulations as well as analytic results.
A gas composed of a large number of atoms evolving according to Newtonian dynamics is often described by continuum hydrodynamics. Proving this rigorously is an outstanding open problem, and precise numerical demonstrations of the equivalence of the hydrodynamic and microscopic descriptions are rare. We test this equivalence in the context of the evolution of a blast wave, a problem that is expected to be at the limit where hydrodynamics could work. We study a one-dimensional gas at rest with instantaneous localized release of energy for which the hydrodynamic Euler equations admit a self-similar scaling solution. Our microscopic model consists of hard point particles with alternating masses, which is a nonintegrable system with strong mixing dynamics. Our extensive microscopic simulations find a remarkable agreement with Euler hydrodynamics, with deviations in a small core region that are understood as arising due to heat conduction.
We derive hydrodynamics of a prototypical one dimensional model, having variable-range hopping, which mimics passive diffusion and ballistic motion of active, or self-propelled, particles. The model has two main ingredients - the hardcore interaction and the competing mechanisms of short and long range hopping. We calculate two density-dependent transport coefficients - the bulk-diffusion coefficient and the conductivity, the ratio of which, despite violation of detailed balance, is connected to number fluctuation by an Einstein relation. In the limit of infinite range hopping, the model exhibits, upon tuning density $rho$ (or activity), a superfluid transition from a finitely conducting state to an infinitely conducting one, characterized by a divergence in conductivity $chi(rho) sim (rho-rho_c)^{-1}$ with $rho_c$ being the critical density. The diverging conductivity greatly increases particle (or vacancy) mobility and induces giant number fluctuations in the system.
We study coarse-grained density fluctuations in the disordered phase of the paradigmatic Vicsek-like models of self-propelled particles with alignment interactions and random self-propulsion velocities. By numerically integrating a fluctuation-response relation - the direct consequence of an additivity property, we compute logarithm of the large-deviation probabilities of the coarse-grained subsystem density, while the system is in the disordered fluid phase with vanishing macroscopic velocity. The large-deviation probabilities, computed within additivity, agree remarkably well with that obtained from direct microscopic simulations of the models. Our results provide an evidence of the existence of an equilibrium-like chemical potential, which governs the coarse-grained density fluctuations in the Vicsek-like models. Moreover, comparison of the particle-number fluctuations among several self-propelled particle systems suggests a common mechanism through which the number fluctuations arise in such systems.
Using an additivity property, we study particle-number fluctuations in a system of interacting self-propelled particles, called active Brownian particles (ABPs), which consists of repulsive disks with random self-propulsion velocities. From a fluctuation-response relation - a direct consequence of additivity, we formulate a thermodynamic theory which captures the previously observed features of nonequilibrium phase transition in the ABPs from a homogeneous fluid phase to an inhomogeneous phase of coexisting gas and liquid. We substantiate the predictions of additivity by analytically calculating the subsystem particle-number distributions in the homogeneous fluid phase away from criticality where analytically obtained distributions are compatible with simulations in the ABPs.
