The lifetime of statistical system is introduced. It is supposed that the nonequilibrium statistical operator implicitly contains the lifetime. The operations of taking of invariant part, averaging on initial conditions used in works of D.N. Zubarev, temporary coarse-graining (Kirkwood), choose of the direction of time are replaced by averaging on lifetime distribution. The expression for lifetime change at transitions from quasi-equilibrium system to nonequilibrium one is derived. A sort of the nonequilibrium statistical operator for systems of the finite sizes is suggested.
The generalization of the Zubarev nonequilibrium statistical operator method for the case of Renyi statistics is proposed when the relevant statistical operator (or distribution function) is obtained based on the principle of maximum for the Renyi entropy. The nonequilibrium statistical operator and corresponding generalized transport equations for the reduced-description parameters are obtained. A consistent description of kinetic and hydrodynamic processes in the system of interacting particles is considered as an example.
An overview is given of recent advances in nonequilibrium statistical mechanics about the statistics of random paths and current fluctuations. Although statistics is carried out in space for equilibrium statistical mechanics, statistics is considered in time or spacetime for nonequilibrium systems. In this approach, relationships have been established between nonequilibrium properties such as the transport coefficients, the thermodynamic entropy production, or the affinities, and quantities characterizing the microscopic Hamiltonian dynamics and the chaos or fluctuations it may generate. This …
The Zubarev nonequilibrium statistical operator (NSO) method in Renyi statistics is discussed. The solution of $q$-parametrized Liouville equation within the NSO method is obtained. A statistical approach for a consistent description of reaction-diffusion processes in "gas-adsorbate-metal" system is proposed using the NSO method in Renyi statistics.
A nonequilibrium statistical operator method is developed for ensembles of particles obeying non-Hamiltonian equations of motion in classical phase space. The main consequences of non-zero compressibility of phase space are examined in terms of time-dependent dynamic quantities. The generalized transport equations involve the phase-space compressibility in a non-trivial way. Our results are useful in molecular dynamics simulation studies as well as nonequilibrium or quasiclassical approximations of quantum-classical dynamics.
Nonequilibrium work-Hamiltonian connection for a microstate plays a central role in diverse branches of statistical thermodynamics (fluctuation theorems, quantum thermodynamics, stochastic thermodynamics, etc.). We show that the change in the Hamiltonian for a microstate should be identified with the work done by it, and not the work done on it. This contradicts the current practice in the field. The difference represents a contribution whose average gives the work that is dissipated due to irreversibility. As the latter has been overlooked, the current identification does not properly account…
With the guidance offered by nonequilibrium statistical thermodynamics, simulation techniques are elevated from brute-force computer experiments to systematic tools for extracting complete, redundancy-free and consistent coarse grained information for dynamic systems. We sketch the role and potential of Monte Carlo, molecular dynamics and Brownian dynamics simulations in the thermodynamic approach to coarse graining. A melt of entangled linear polyethylene molecules serves us as an illustrative example.
For open quantum systems, the Gaussian environmental dissipative effect can be represented by statistical quasi-particles, namely, dissipatons. We exploit this fact to establish the dissipaton thermofield theory. The resulting generalized Langevin dynamics of absorptive and emissive thermofield operators are effectively noise-resolved. The system-bath entanglement theorem is then readily followed between an important class of nonequilibrium steady-state correlation functions. All these relations are validated numerically. A simple corollary is the transport current expression, which exactly re…
The aim of this review is to provide better understanding of a few approaches that have been proposed for treating nonequilibrium (time-dependent) processes in statistical mechanics with the emphasis on the inter-relation between theories. The ensemble method, as it was formulated by J. W. Gibbs, have the great generality and the broad applicability to equilibrium statistical mechanics. Different macroscopic environmental constraints lead to different types of ensembles, with particular statistical characteristics. In the present work, the statistical theory of nonequilibrium processes which i…
The effective approach to the foundation of the nonequilibrium statistical mechanics on the basis of dynamics was formulated by Bogoliubov in his seminal works. His ideas of reduced description were proved as very powerful and found a broad applicability to quite general time-dependent problems of physics and mechanics. In this paper we analyzed thoroughly the time evolution of open systems in context of the nonequilibrium statistical operator method (NSO). This method extends the statistical method of Gibbs to irreversible processes and incorporates the ideas of reduced description. The purpo…
The general principles of the choice of the reduced description parameters of nonequilibrium states γα(t) and the construction of the nonequilibrium statistical operator (NSO) ρ(t) are discussed. On the basis of Kavasaki - Gunton projection operator an explicit non-Markov form of NSO with respect to parameters is obtained and the equivalence of the method to the other methods using boundary conditions for ρ(t) or "mixing" operator is shown. An exact NSO transformation to γα(t) Markov form with respect to γα(t) at arbitrary dependence of Vt perturbation o…
We describe a particular approach for the construction of a nonequilibrium statistical ensemble formalism for the treatment of dissipative many-body systems. This is the so-called Nonequilibrium Statistical Operator Method, based on the seminal and fundamental ideas set forward by Boltzmann and Gibbs. The existing approaches can be unified under a unique variational principle, namely, MaxEnt, which we consider here. The main six basic steps that are at the foundations of the formalism are presented and the fundamental concepts are discussed. The associated nonlinear quantum kinetic theory and …
This paper derives a density matrix of the steady-state statistical mechanics compatible with the steady-state thermodynamics proposed by Oono and Paniconi [Prog. Theor. Phys. Suppl. {\bf 130}, 29 (1998)]. To this end, we adopt three plausible basic assumptions for uniform steady states: (i) equivalence between any two subsystems of the total, (ii) statistical independence between any two subsystems, and (iii) additivity of energy. With a suitable definition of energy, it is then shown that uniform steady states driven by mechanical forces may be described by the Gibbs distribution.
We derive a class of mesoscopic virial equations governing energy partition between conjugate position and momentum variables of individual degrees of freedom. They are shown to apply to a wide range of nonequilibrium steady states with stochastic (Langevin) and deterministic (Nosé--Hoover) dynamics, and to extend to collective modes for models of heat-conducting lattices. A generalised macroscopic virial theorem ensues upon summation over all degrees of freedom. This theorem allows for the derivation of nonequilibrium state equations that involve dissipative heat flows on the same footing wit…
Entropy in nonequilibrium statistical mechanics is investigated theoretically so as to extend the well-established equilibrium framework to open nonequilibrium systems. We first derive a microscopic expression of nonequilibrium entropy for an assembly of identical bosons/fermions interacting via a two-body potential. This is performed by starting from the Dyson equation on the Keldysh contour and following closely the procedure of Ivanov, Knoll and Voskresensky [Nucl. Phys. A {\bf 672} (2000) 313]. The obtained expression is identical in form with an exact expression of equilibrium entropy and…
Showing that the location of the zeros of the partition function can be used to study phase transitions, Yang and Lee initiated an ambitious and very fruitful approach. We give an overview of the results obtained using this approach. After an elementary introduction to the Yang-Lee formalism, we summarize results concerning equilibrium phase transitions. We also describe recent attempts and breakthroughs in extending this theory to nonequilibrium phase transitions.
In this paper we presented an overview on our works. More than ten years ago, we proposed a new fundamental equation of nonequilibrium statistical physics in place of the present Liouville equation. That is the stochastic velocity type's Langevin equation in 6N dimensional phase space or its equivalent Liouville diffusion equation. This equation is time-reversed asymmetrical. It shows that the form of motion of particles in statistical thermodynamic systems has the drift-diffusion duality, and the law of motion of statistical thermodynamics is expressed by a superposition of both the law of dy…
Using tools of nonequilibirum mechanics, we study a model of self-propelled hard rods on a substrate in two dimensions to quantify the interplay of self-propulsion and excluded-volume effects. We derive of a Smoluchowski equation for the configurational probability density of self-propelled rods that contains several modifications as compared to the familiar Smoluchowski equation for thermal rods. As a side-product of our work, we also present a purely dynamical derivation of the Onsager form of the mean field excluded volume interaction among thermal hard rods.
This article is a brief Retrospective on the life and work of Robert W. Zwanzig, who formulated nonequilibrium statistical mechanics and who passed away in May of this year.
Statistical description of hydrodynamic processes for ionic melts is proposed with taking into account polarization effects caused by the deformation of external ionic shells. This description is carried out by means of the Zubarev nonequilibrium statistical operator method, appropriate for investigations of both strong and weak nonequilibrium processes. The nonequilibrium statistical operator and the generalized hydrodynamic equations that take into account polarization processes are received for ionic-polarization model of ionic molten salts when the nonequilibrium averaged values of densiti…
Nonequilibrium statistical physics is concerned with a fundamental problem in physics, the phenomenon of irreversibility, which is not rigorously solved yet. Different approaches to the statistical mechanics of nonequilibrium processes are based on empirical assumptions but a rigorous, first principle theory is missing. An important contribution to describe irreversible behavior starting from reversible Hamiltonian dynamics was given by Zubarev who invented the method of the nonequilibrium statistical operator (NSO). We discuss this approach, in particular the extended von Neumann equation and…
The fluctuations in nonequilibrium systems are under intense theoretical and experimental investigation. Topical ``fluctuation relations'' describe symmetries of the statistical properties of certain observables, in a variety of models and phenomena. They have been derived in deterministic and, later, in stochastic frameworks. Other results first obtained for stochastic processes, and later considered in deterministic dynamics, describe the temporal evolution of fluctuations. The field has grown beyond expectation: research works and different perspectives are proposed at an ever faster pace. …
We analyze the dynamics of a simple but nontrivial classical Hamiltonian system of infinitely many coupled rotators. We assume that this infinite system is driven out of thermal equilibrium either because energy is injected by an external force (Case I), or because heat flows between two thermostats at different temperatures (Case II). We discuss several possible definitions of the entropy production associated with a finite or infinite region, or with a partition of the system into a finite number of pieces. We show that these definitions satisfy the expected bounds in terms of thermostat tem…
We study the statistical force of a nonequilibrium environment on a quasi-static probe. In the linear regime the isothermal work on the probe equals the excess work for the medium to relax to its new steady condition with displaced probe. Also the relative importance of reaction paths can be measured via statistical forces, and from second order onwards the force on the probe reveals information about nonequilibrium changes in the reactivity of the medium. We also show that statistical forces for nonequilibrium media are generally nonadditive, in contrast with the equilibrium situation. Both t…
Comparison of extended irreversible thermodynamics and nonequilibrium statistical operator method with thermodynamics based on a distribution containing the first-passage time
The method of the nonequilibrium statistical operator accounts for the history of a system, influence of its past history to its present state. It is suggested to take into account the finite duration of the present time moment, which according to I.Prigogine's results, is equal to the average Lyapunov time.
The local equilibrium approach previously developed by the Authors [J. Mabillard and P. Gaspard, J. Stat. Mech. (2020) 103203] for matter with broken symmetries is applied to crystalline solids. The macroscopic hydrodynamics of crystals and their local thermodynamic and transport properties are deduced from the microscopic Hamiltonian dynamics. In particular, the Green-Kubo formulas are obtained for all the transport coefficients. The eight hydrodynamic modes and their dispersion relation are studied for general and cubic crystals. In the same twenty crystallographic classes as those compatibl…
A classical particle system coupled with a thermostat driven by an external constant force reaches its steady state when the ensemble-averaged drift velocity does not vary with time. The statistical mechanics of such a system is derived merely based on the equal probability and ergodicity principles, free from any conclusions drawn on equilibrium statistical mechanics or local equilibrium hypothesis. The momentum space distribution is determined by a random walk argument, and the position space distribution is determined by employing the equal probability and ergodicity principles. The express…
A view on the physical meaning of the so called ergodic hypothesis: its role on the foundations of equilibrium statistical mechanics in mid '800, its interpretations and hints at its relevance for modern nonequilibrium statistical mechanics. Followed by appendices with detailed comments on the original papers.
An overview is given of recent advances in nonequilibrium statistical mechanics on the basis of the theory of Hamiltonian dynamical systems and in the perspective provided by the nanosciences. It is shown how the properties of relaxation toward a state of equilibrium can be derived from Liouville's equation for Hamiltonian dynamical systems. The relaxation rates can be conceived in terms of the so-called Pollicott-Ruelle resonances. In spatially extended systems, the transport coefficients can also be obtained from the Pollicott-Ruelle resonances. The Liouvillian eigenstates associated with th…
Statistical properties of Brownian motion that arise by analyzing, separately, trajectories over which the system energy increases (upside) or decreases (downside) with respect to a threshold energy level, are derived. This selective analysis is applied to examine transport properties of a nonequilibrium Brownian process that is coupled to multiple thermal sources characterized by different temperatures. Distributions, moments, and correlation functions of a free particle that occur during upside and downside events are investigated for energy activation and energy relaxation processes, and al…
Understanding the fluctuations by which phenomenological evolution equations with thermodynamic structure can be enhanced is the key to a general framework of nonequilibrium statistical mechanics. These fluctuations provide an idealized representation of microscopic details. We consider fluctuation-enhanced equations associated with Markov processes and elaborate the general recipes for evaluating dynamic material properties, which characterize force-flux constitutive laws, by statistical mechanics. Markov processes with continuous trajectories are conveniently characterized by stochastic diff…
For systems in nonequilibrium steady states, a novel modulated Gaussian probability distribution is derived to incorporate a new phenomenon of biased current fluctuations, discovered by recent laboratory experiments and confirmed by molecular dynamics simulations. Our results consistently extend Onsager-Machlup fluctuation theory for systems in thermal equilibrium. Connections with the principles of Statistical Mechanics due to Boltzmann and Gibbs are discussed. At last, the modulated Gaussian distribution is of potential interest for other statistical disciplines, which make use of the Large …
The density of states of self-gravitational system diverges when the particles are spread to infinity. Other problem based an inhomogeneous distribution of particles,which motivate the gravitational interaction. In this sense the statistical mechanics of self-gravitational system is essentially an non-equilibrium problem. A new possible approach to statistical description of self-gravitational system has been proposed. The approach based on non-equilibrium statistical operator, which allow take into account inhomogeneous distribution particle and temperature in self gravitational system. The s…
A survey of the approach to Statistical Mechanics following Boltzmann's theory of ensembles and ergodic hypothesis leading to chaoticity as a unifying principle of equilibrium and nonequilibrium Statistical Mechanics.
A family of nonequilibrium statistical operators (NSO) is introduced which differ by the system lifetime distribution over which the quasiequilibrium distribution is averaged. This changes the form of the source in the Liouville equation, as well as the expressions for the kinetic coefficients, average fluxes, and kinetic equations obtained with use of NSO. The difference from the Zubarev form of NSO is of the order of the reciprocal lifetime of a system.
In this paper, we formally demonstrate that the non-equilibrium density matrix developed by Hershfield for the steady state has the form of a McLennan-Zubarev non-equilibrium ensemble. The correction term in this pseudo equilibrium Gibbs-like ensemble is directly related to the entropy production in the quantum open system. The fact the both methods state that a non-equilibrium steady state can be mapped onto a pseudo-equilibrium, permits us to develop non-equilibrium quantities from formal expressions equivalent to the equilibrium case. We provide an example: the derivation of a non-equilibri…
A consistent statistical description of kinetics and hydrodynamics of dusty plasma is proposed based on the Zubarev nonequilibrium statistical operator method. For the case of partial dynamics the nonequilibrium statistical operator and the generalized transport equations for a consistent description of kinetics of dust particles and hydrodynamics of electrons, ions and neutral atoms are obtained. In the approximation of weakly nonequilibrium process a spectrum of collective excitations of dusty plasma is investigated in the hydrodynamic limit.
The method of the nonequilibrium statistical operator developed by D. N. Zubarev is employed to analyse and derive generalized transport and kinetic equations. The degrees of freedom in solids can often be represented as a few interacting subsystems (electrons, spins, phonons, nuclear spins, etc.). Perturbation of one subsystem may produce a nonequilibrium state which is then relaxed to an equilibrium state due to the interaction between particles or with a thermal bath. The generalized kinetic equations were derived for a system weakly coupled to a thermal bath to elucidate the nature of tran…
Using the path integral approach to equilibrium statistical physics the effect of dissipation on Landau diamagnetism is calculated. The calculation clarifies the essential role of the boundary of the container in which the electrons move. Further, the derived result for diamagnetization also matches with the expression obtained from a time-dependent quantum Langevin equation in the asymptotic limit, provided a certain order is maintained in taking limits. This identification then unifies equilibrium and nonequilibrium statistical physics for a phenomenon like diamagnetism, which is inherently …
We generalize an orthonormality relation between decay eigenmodes of equilibrium systems to nonequilibrium markovian generators which commute with their time-reversal. Viewing such modes as tangent vectors to the manifold of statistical ensembles, we relate the result to the choice of a coordinate patch which makes the Fisher-Rao metric euclidean at the invariant state, realizing a sort of statistical equivalence principle. Finally, we classify nonequilibrium systems according to their spectrum, arguing that a degenerate Fisher matrix is a signature of the insurgence of a class of phase transi…
The energy partitioning during activation and relaxation events under steady-state conditions for a Brownian particle driven by multiple thermal reservoirs of different local temperatures is investigated. Specifically, we apply the formalism derived in a previous article [G. T. Craven and A. Nitzan, J. Chem. Phys. 148, 044101 (2018)] to examine the thermal transport properties of two sub-ensembles of Brownian processes, distinguished at any given time by the specification that all the trajectories in each group have, at that time, energy either above (upside) or below (downside) a preselected …
We theoretically explore the Bochkov-Kuzovlev-Jarzynski-Crooks work theorems in a finite system subject to external control, which is coupled to a heat reservoir. We first elaborate the mechanical energy-balance between the system and the surrounding reservoir and proceed to formulate the statistical counterpart under the general nonequilibrium conditions. Consequently, a consistency condition is derived, underpinning the nonequilibrium equalities, both in the framework of the system-centric and nonautonomous Hamiltonian pictures and its utility is examined in a few examples. Also, we elucidat…
Shannon information theory provides various measures of so-called "syntactic information", which reflect the amount of statistical correlation between systems. In contrast, the concept of "semantic information" refers to those correlations which carry significance or "meaning" for a given system. Semantic information plays an important role in many fields, including biology, cognitive science, and philosophy, and there has been a long-standing interest in formulating a broadly applicable and formal theory of semantic information. In this paper we introduce such a theory. We define semantic inf…
There has been interest in finding a general variational principle for non-equilibrium statistical mechanics. We give evidence that Maximum Caliber (Max Cal) is such a principle. Max Cal, a variant of Maximum Entropy, predicts dynamical distribution functions by maximizing a path entropy subject to dynamical constraints, such as average fluxes. We first show that Max Cal leads to standard near-equilibrium results -including the Green-Kubo relations, Onsager's reciprocal relations of coupled flows, and Prigogine's principle of minimum entropy production -in a way that is particularly simple. Mo…
Understanding the rich spatial and temporal structures in nonequilibrium thermal environments is a major subject of statistical mechanics. Because universal laws, based on an ensemble of systems, are mute on an individual system, exploring nonequilibrium statistical mechanics and the ensuing universality in individual systems has long been of fundamental interest. Here, by adopting the wave description of microscopic motion, and combining the recently developed eigenchannel theory and the mathematical tool of the concentration of measure, we show that in a single complex medium, a universal sp…
Using a combination of molecular dynamics simulations and fundamental statistical mechanics, we analyze the position and velocity distribution of a trapped ion immersed in two ideal gases at differing temperatures. Such a system has been realized in the recently developed MOTion trap architecture. This system has the potential to serve as platform for studying nonequilibrium statistical mechanics in a controlled environment. As examples, we demonstrate a non-Maxwell Boltzmann velocity ionic distribution in the trap, the breakdown of the fluctuation-dissipation theorem, and position-velocity so…
In this contribution we show that a suitably defined nonequilibrium entropy of an N-body isolated system is not a constant of the motion in general and its variation is bounded, the bounds determined by the thermodynamic entropy, i.e., the equilibrium entropy. We define the nonequilibrium entropy as a convex functional of the set of n-particle reduced distribution functions (n=0,......., N) generalizing the Gibbs fine-grained entropy formula. Additionally, as a consequence of our microscopic analysis we find that this nonequilibrium entropy behaves as a free entropic oscillator. In the approac…
Nonequilibrium thermodynamics (NET) investigates processes in systems out of global equilibrium. On a mesoscopic level, it provides a statistical dynamic description of various complex phenomena such as chemical reactions, ion transport, diffusion, thermochemical, thermomechanical and mechanochemical fluxes. In the present review, we introduce a mesoscopic stochastic formulation of NET by analyzing entropy production in several simple examples. The fundamental role of nonequilibrium steady-state cycle kinetics is emphasized. The statistical mechanics of Onsager's reciprocal relations in this c…
We consider the dynamics of a freely movable wall of mass $M$ with one degree of freedom that separates a long tube into two regions, each of which is filled with rarefied gas particles of mass $m$. The gases are initially prepared at equal pressure but different temperatures, and we assume that the pressure and temperature of gas particles before colliding with the wall are kept constant over time in each region. We elucidate the energetics of the setup on the basis of the local detailed balance condition, and then derive the expression for the heat transferred from each gas to the wall. Furt…
Hydrodynamics, a term apparently introduced by Daniel Bernoulli (1700-1783) to comprise hydrostatic and hydraulics, has a long history with several theoretical approaches. Here, after a descriptive introduction, we present so-called mesoscopic hydro-thermodynamics, which is also referred to as higher-order generalized hydrodynamics, built within the framework of a mechanical-statistical formalism. It consists of a description of the material and heat motion of fluids in terms of the corresponding densities and their associated fluxes of all orders. In this way, movements are characterized in t…
We propose a unified framework to study the turbulent transport problem from the perspective of nonequilibrium statistical mechanics. By combining Krarichnan's turbulence thermalization assumption and Ruelle's recent work on nonequilibrium statistical mechanics settings for fluids, we show that the equation for viscous fluid can be viewed as the non-canonical Hamiltonian system perturbed by different thermostats. This allows an analogy between the viscous fluid and the nonequilibrium heat conduction model where the Fourier modes can be regarded as the ''particles''. With this framework, we ref…
The question of deriving general force/flux relationships that apply out of the linear response regime is a central topic of theories for nonequilibrium statistical mechanics. This work applies an information theory perspective to compute approximate force/flux relations and compares the result with traditional alternatives. If it can be said that there is a consensus on the form of response theories in driven, nonequilibrium transient dynamics, then that consensus is consistent with maximizing the entropy of a distribution over transition space. This agreement requires the problem of force/fl…
For open systems subjected to external magnetic fields, relations between the statistical cumulants of their fluctuating currents and their response coefficients are established at arbitrary orders in the deviations from equilibrium, as a consequence of microreversibility. These relations are systematically deduced from the extension of the fluctuation relation for this class of systems, and analyzed by using methods developed in [M. Barbier and P. Gaspard, J. Phys. A: Math. Theor. 51 (2018) 355001]. We unambiguously identify, among the statistical cumulants and their nonequilibrium responses,…
We investigate a dissipatively driven XYZ spin-1/2 chain in the Zeno limit of strong dissipation, described by Lindblad master equation. The nonequilibrium steady state is expressed in terms of a matrix product ansatz using novel site-dependent Lax operators. The components of Lax operators satisfy a simple set of linear recurrence equations that generalize the defining algebraic relations of the quantum group $U_q(sl_2)$. We reveal connection between the nonequilibrium steady state of the nonunitary dynamics and the respective integrable model with edge magnetic fields, described by coherent …
A statistical approach to a self-consistent description of kinetic and hydrodynamic processes in systems of interacting particles is formulated on the basis of the nonequilibrium statistical operator method by D.N.Zubarev. It is shown how to obtain the kinetic equation of the revised Enskog theory for a hard sphere model, the kinetic equations for multistep potentials of interaction and the Enskog-Landau kinetic equation for a system of charged hard spheres. The BBGKY hierarchy is analyzed on the basis of modified group expansions. Generalized transport equations are obtained in view of a self…
We discuss the physical meaning and significance of statistical forces on quasi-static probes in first order around detailed balance for driven media. Exploiting the quasi-static energetics and the structure of (McLennan) steady nonequilibrium ensembles, we find that the statistical force obtains a nonequilibrium correction deriving from the excess work of driving forces on the medium in its relaxation after probe displacement. This reformulates, within a more general context, the recent result by N. Nakagawa (Phys. Rev. E 90, 022108 (2014)) on thermodynamic aspects of weakly nonequilibrium ad…
