The totally asymmetric simple exclusion process (TASEP) is a well studied example of far-from-equilibrium dynamics. Here, we consider a TASEP with open boundaries but impose a global constraint on the total number of particles. In other words, the boundary reservoirs and the system must share a finite supply of particles. Using simulations and analytic arguments, we obtain the average particle density and current of the system, as a function of the boundary rates and the total number of particles. Our findings are relevant to biological transport problems if the availability of molecular motors becomes a rate-limiting factor.
We describe an exactly solvable model which illustrates the Fluctuation Theorem and other predictions for systems evolving far from equilibrium. Our model describes a particle dragged by a spring through a thermal environment. The rate at which the spring is pulled is arbitrary.
A new method for characterizing the deformable porous materials with non-critical adsorption probes is proposed. The mechanism is based on a driving the adsorbate through a sequence of constrained equilibrium states with the insertion isotherms forming a pseudo-critical point or a van der Waals-type loop. In the framework of a perturbation theory and Monte Carlo simulations we have found a link between the loop parameters and the host morphology. This allows one to characterize porous matrices through analyzing a shift of the pseudo-critical point and a shape of the pseudo-spinodals.
The amount of work that is needed to change the state of a system in contact with a heat bath between specified initial and final nonequilibrium states is at least equal to the corresponding equilibrium free energy difference plus (resp. minus) temperature times the information of the final (resp. the initial) state relative to the corresponding equilibrium distributions.
We discuss the fluctuation properties of equilibrium chaotic systems with constraints such as iso-kinetic and Nosé-Hoover thermostats. Although the dynamics of these systems does not typically preserve phase-space volumes, the average phase-space contraction rate vanishes, so that the stationary states are smooth. Nevertheless finite-time averages of the phase-space contraction rate have non-trivial fluctuations which we show satisfy a simple version of the Gallavotti-Cohen fluctuation theorem, complementary to the usual fluctuation theorem for non-equilibrium stationary states, and appropriat…
We present a new approach to far-from-equilibrium statistical mechanics, based on the concept of generalized entropy, which is a microscopically-defined generalization of Onsager-Machlup functional. In the case when a set of slow (adiabatic) variables can be chosen, our formalism yields a general form of the macroscopic evolution law (Generalized Langevin Equation) and extends Fluctuation Dissipative Theorem. It also provides for a simple understanding of recently-discovered Fluctuation Theorem
Investigation of simple far-from-equilibrium systems exhibiting phase separation leads to the conclusion that phase coexistence is not well defined in this context. This is because the properties of the coexisting nonequilibrium systems depend on how they are placed in contact, as verified in the driven lattice gas with attractive interactions, and in the two-temperature lattice gas, under (a) weak global exchange between uniform systems, and (b) phase-separated (nonuniform) systems. Thus, far from equilibrium, the notions of universality of phase coexistence (i.e., independence of how systems…
We study heat conduction in one dimensional lattice dynamical systems far from equilibrium. The Fermi-Pasta-Ulam model and the $ϕ^4$ model are numerically compared to elucidate differences between momentum-conserving and nonconserving systems. As a results, it is found that the heat flux in the $ϕ^4$ model does not increase monotonically as the temperature differences at the ends of the lattice is increased, while it does in the FPU chain.
We prove that a recently derived correlation equality between conserved charges and their associated conserved currents for quantum systems far from equilibrium [O.A. Castro-Alvaredo et al., Phys. Rev. X \textbf{6}, 041065 (2016)], is valid under more general conditions than assumed so far. Similar correlation identities, which in generalized Gibbs ensembles give rise to a current symmetry somewhat reminiscent of the Onsager relations, turn out to hold also in the absence of translation invariance, for lattice models, and in any space dimension, and to imply a symmetry of the non-equilibrium l…
Thermodynamic length is a path function that generalizes the notion of length to the surface of thermodynamic states. Here, we show how to measure thermodynamic length in far-from-equilibrium single molecule experiments using the work fluctuation relations. For these microscopic systems, it proves necessary to define the thermodynamic length in terms of the Fisher information. Consequently, the thermodynamic length can be directly related to the magnitude of fluctuations about equilibrium. The work fluctuation relations link the work and the free energy change during an external perturbation o…
The Kawasaki nonlinear response relation, the transient fluctuation theorem, and the Jarzynski nonequilibrium work relation are all expressions that describe the behavior of a system that has been driven from equilibrium by an external perturbation. In contrast to linear response theory, these expressions are exact no matter the strength of the perturbation, or how far the system has been driven away from equilibrium. In this paper I show that these three relations (and several other closely related results) can all be considered special cases of a single theorem. This expression is explicitly…
By studying a nonequilibrium Langevin system, we find that a simple condition determines the decomposition of the coarse-grained force into a dissipative force, an effective driving force and noise. From this condition, we derive a new universal inequality, $D \ge γ\mud^2 T$, relating the diffusion constant $D$, the differential mobility $\mud$, the bare friction constant $γ$ and the temperature $T$. Due to the general nature of the argument we present, we believe that our idea concerning this decomposition can be applied to a wide class of systems far from equilibrium.
In this paper, we introduce a real symmetric and positive semi-definite matrix, which we call the non-equilibrium conductance matrix, and which generalizes the Onsager response matrix for a system in a non-equilibrium stationary state. We then express the thermodynamic efficiency in terms of the coefficients of this matrix using a parametrization similar to the one used near equilibrium. This framework, then valid arbitrarily far from equilibrium allows to set bounds on the thermodynamic efficiency by a universal function depending only on the degree of coupling between input and output curren…
The BGK model kinetic equation is applied to spatially inhomogeneous states near steady uniform shear flow. The shear rate of the reference steady state can be large so the states considered include those very far from equilibrium. The single particle distribution function is calculated exactly to first order in the deviations of the hydrodynamic field gradients from their values in the reference state. The corresponding non-linear hydrodynamic equaitons are obtained and the set of transport coefficients are identified as explicit functions of the shear rate. The spectrum of the linear hydrody…
We calculate the nonequilibrium mean-field 'temperature' of a Brownian system in contact with a heat bath. We consider two different cases: an equilibrium bath in the presence of strong external forces and a nonequilibrium bath. By proving the existence of a generalized fluctuation-dissipation relation this mean-field 'temperature' can be used to describe a nonequilibrium system as is if it were in thermal equilibrium with a thermal bath at the mean-field 'temperature' mentioned above. We apply our results to chemical reactions in the presence of external forces showing how chemical equilibriu…
Recent theoretical predictions and experimental measurements have demonstrated that equilibrium free energy differences can be obtained from exponential averages of nonequilibrium work values. These results are similar in structure, but not equivalent, to predictions derived nearly three decades ago by Bochkov and Kuzovlev, which are also formulated in terms of exponential averages but do not involve free energy differences. In the present paper the relationship between these two sets of results is elucidated, then illustrated with an undergraduate-level solvable model. The analysis also serve…
Transport phenomena in spatially periodic systems far from thermal equilibrium are considered. The main emphasize is put on directed transport in so-called Brownian motors (ratchets), i.e. a dissipative dynamics in the presence of thermal noise and some prototypical perturbation that drives the system out of equilibrium without introducing a priori an obvious bias into one or the other direction of motion. Symmetry conditions for the appearance (or not) of directed current, its inversion upon variation of certain parameters, and quantitative theoretical predictions for specific models are revi…
In this work an extremal principle driving the far from equilibrium evolution of a system of structureless particles is derived by using the stochastic quantum hydrodynamic analogy. For a classical phase (i.e., the quantum correlations decay on a distance smaller than the mean inter-molecular distance) the far from equilibrium kinetic equation can be cast in the form of a Fokker-Plank equation whose phase space velocity vector maximizes the dissipation of the energy-type function, named here, stochastic free energy. Near equilibrium the maximum stochastic free energy dissipation is shown to be…
We address, on the example of a simple solvable model, the issue of whether the stationary state of dissipative systems converges to an equilibrium state in the low dissipation limit. We study a driven dissipative Zero Range Process on a tree, in which particles are interpreted as finite amounts of energy exchanged between degrees of freedom. The tree structure mimicks the hierarchy of length scales; energy is injected at the top of the tree ('large scales'), transferred through the tree and dissipated mostly in the deepest branches of the tree ('small scales'). Varying a parameter characteriz…
Many important processes at the microscale require far-from-equilibrium conditions to occur, as in the functioning of mesoscopic bioreactors, nanoscopic rotors, and nanoscale mass conveyors. Achieving such conditions, however, is typically based on energy inputs that strongly affect the thermal properties of the environment and the controllability of the system itself. Here, we present a general class of far-from-equilibrium processes that suppress the net thermal exchange with the environment by maintaining the Maxwell-Boltzmann velocity distribution intact. This new phenomenon, referred to a…
Scaling ideas and renormalization group approaches proved crucial for a deep understanding and classification of critical phenomena in thermal equilibrium. Over the past decades, these powerful conceptual and mathematical tools were extended to continuous phase transitions separating distinct non-equilibrium stationary states in driven classical and quantum systems. In concordance with detailed numerical simulations and laboratory experiments, several prominent dynamical universality classes have emerged that govern large-scale, long-time scaling properties both near and far from thermal equil…
We relate progress in statistical mechanics, both at and far from equilibrium, to advances in the theory of dynamical systems. We consider computer simulations of time-reversible deterministic chaos in small systems with three- and four-dimensional phase spaces. These models provide us with a basis for understanding equilibration and thermodynamic irreversibility in terms of Lyapunov instability, fractal distributions, and thermal constraints
We characterize the universal far-from-equilibrium dynamics of the two-dimensional quantum Heisenberg magnet isolated from its environment. For a broad range of initial conditions, we find a long-lived universal prethermal regime characterized by self-similar behavior of spin-spin correlations. We analytically derive the spatial-temporal scaling exponents and find excellent agreement with numerics using phase space methods. The scaling exponents are insensitive to the choice of initial conditions, which include coherent and incoherent spin states with values of total magnetization and energy i…
We study a quantity $\mathcal{T}$ defined as the energy U, stored in non-equilibrium steady states (NESS) over its value in equilibrium $U_0$, $ΔU=U-U_0$ divided by the heat flow $J_{U}$ going out of the system. A recent study suggests that $\mathcal{T}$ is minimized in steady states (Phys.Rev.E.99, 042118 (2019)). We evaluate this hypothesis using an ideal gas system with three methods of energy delivery: from a uniformly distributed energy source, from an external heat flow through the surface, and from an external matter flow. By introducing internal constraints into the system, we determin…
Near equilibrium, where all currents of a system vanish on average, the fluctuation-dissipation relation (FDR) connects a current's spontaneous fluctuations with its response to perturbations of the conjugate thermodynamic force. Out of equilibrium, fluctuation-response relations generally involve additional nondissipative contributions. Here, in the framework of stochastic thermodynamics, we show that an equilibrium-like FDR holds for internally equilibrated currents, if the perturbing conjugate force only affects the microscopic transitions that contribute to the current. We discuss the phys…
Kinetically-constrained models are lattice-gas models that are used for describing glassy systems. By construction, their equilibrium state is trivial and there are no equal-time correlations between the occupancy of different sites. We drive such models out of equilibrium by connecting them to two reservoirs of different densities, and measure the response of the system to this perturbation. We find that under the proper coarse-graining, the behavior of these models may be expressed by a nonlinear diffusion equation, with a model- and density-dependent diffusion coefficient. We find a simple …
This paper presents a nonequilibrium thermodynamic model for the relaxation of a local, isolated system in nonequilibrium using the principle of steepest entropy ascent (SEA), which can be expressed as a variational principle in thermodynamic state space. The model is able to arrive at the Onsager relations for such a system. Since no assumption of local equilibrium is made, the conjugate fluxes and forces, which result, are intrinsic to the subspaces of the system's state space and are defined using the concepts of hypoequilibrium state and nonequilibrium intensive properties, which describe …
It is known that equilibrium thermodynamics can be deduced from a constrained Fisher information extemizing process. We show here that, more generally, both non-equilibrium and equilibrium thermodynamics can be obtained from such a Fisher treatment. Equilibrium thermodynamics corresponds to the ground state solution, and non-equilibrium thermodynamics corresponds to excited state solutions, of a Schroedinger wave equation (SWE). That equation appears as an output of the constrained variational process that extremizes Fisher information. Both equilibrium- and non-equilibrium situations can ther…
We summarize the recent simulation progress of micromanipulation experiments on RNAs. Our work mainly consults with two important small RNAs unfolding experiments carried out by Bustamante group. Our results show that, in contrast to protein cases, using the single polymer elastic theory and the well known RNA secondary structure free energy knowledge, we can successively simulate various behaviors of force unfolding RNAs under different experimental setups from equilibrium to far-from equilibrium. Particularly, our simulation would be helpful in understanding Jarzynski's remarkable equality, …
We consider a closed quantum system, initially at thermal equilibrium, driven by arbitrary external parameters. We derive a lower bound on the entropy production which we express in terms of the Bures angle between the nonequilibrium and the corresponding equilibrium state of the system. The Bures angle is an angle between mixed quantum states and defines a thermodynamic length valid arbitrarily far from equilibrium. As an illustration, we treat the case of a time-dependent harmonic oscillator for which we obtain analytic expressions for generic driving protocols.
Negative differential conductivity is reported for the far from equilibrium quantum spin transport in the insulating regime (J_x < J_z) of finite Heisenberg XXZ spin 1/2 chains. The phenomenon is reproduced analytically for small chains of N=4 spins and further analyzed numerically, for up to N=16, using an efficient pure-state simulation with stochastic spin baths.
The quasi-stationary nonequilibrium distribution function of an independent electron gas interacting with a medium, which is at local thermal equilibrium, can be obtained by entropy production rate minimization, subject to constraints of fixed moments. The result is not restricted to the region near equilibrium (linear response) and provides a closure of the associated generalized hydrodynamic equations of the electron gas for an arbitrary number of moments. Besides an access to far from equilibrium states, the approach provides a useful description of semi-classical transport in mesoscopic co…
A generalization of the Yang-Lee and Fisher zeros on far-from-equilibrium systems coupled with two thermal baths is proposed. The Yang-Lee zeros were obtained for minimal models which exhibit complicated behavior in the context of the partition function zeros and provide an analitycal treatment. This type of models may be considered as a simplest one and analogous to Ising model for equilibrium. The obtained distributions of generalized Yang-Lee zeros show nontrivial behavior for these simple models.
We use computer simulation to study the layer-by-layer growth of particle structures in a lattice gas, taking the number of incorporated vacancies as a measure of the quality of the grown structure. By exploiting a dynamic scaling relation between structure quality in and out of equilibrium, we determine that the best quality of structure is obtained, for fixed observation time, with strong interactions and far-from-equilibrium growth conditions. This result contrasts with the usual assumption that weak interactions and mild nonequilibrium conditions are the best way to minimize errors during …
We report the complete statistical treatment of a system of particles interacting via Newtonian forces in continuous boundary-driven flow, far from equilibrium. By numerically time-stepping the force-balance equations of a model fluid we measure occupancies and transition rates in simulation. The high-shear-rate simulation data verify the invariant quantities predicted by our statistical theory, thus demonstrating that a class of non-equilibrium steady states of matter, namely sheared complex fluids, is amenable to statistical treatment from first principles.
It is shown, that Bose-Einstein condensation can occur not only in spatially extended equilibrium systems, but also in the systems far from thermal equilibrium, which show order-disorder phase transition. The investigation is performed by solving the Complex Ginzburg-Landau equation, a universal model for nonequilibrium order-disorder phase transitions.
Using quantization in the Fock space of operators we compute the non-equilibrium steady state in an open Heisenberg XY spin 1/2 chain of finite but large size coupled to Markovian baths at its ends. Numerical and theoretical evidence is given for a far from equilibrium quantum phase transition with spontaneous emergence of long-range order in spin-spin correlation functions, characterized by a transition from saturation to linear growth with the size of the entanglement entropy in operator space.
Lagrange and Hamilton equations for thermodynamic evolution near equilibrium as well as Schrodinger-like equation for the non-equilibrium case are obtained extending the CPDQ Principle (Constancy of the product momentum-oordinate uncertainty) to a new conjugate pair where the momentum f is the extension of the mechanical f=p.δq product for the case the coordinate q is not directly observable. Applied to the case of a particle in a one dimension box, the results are in agreement with reported calculated and measured thermal conductance.
We report an experimental investigation of the transition from a hexagonally ordered solid phase to a disordered liquid in a monolayer of vibrated spheres. The transition occurs as the intensity of the vibration amplitude is increased. Measurements of the density of dislocations and the positional and orientational correlation functions show evidence for a dislocation-mediated continuous transition from a solid phase with long-range order to a liquid with only short-range order. The results show a strong similarity to simulations of melting of hard disks in equilibrium, despite the fact that t…
A framework for the non-equilibrium thermodynamics of glasses is discussed. It also explains the non-equilibrium thermodynamics of a black hole isolated from matter. The first and second laws of black dynamics and black hole thermodynamics are shown to coincide, while the third laws deal with different issues.
In an equilibrium chemical reaction mixture, the number of molecules present obeys a Poisson distribution. We ask when the same is true of the steady state of a nonequilibrium reaction network and obtain an essentially complete answer. In particular, we show that networks with certain topological features must have a Poisson distribution, whatever the reaction rates. Such driven systems also obey an analog of the fluctuation-dissipation theorem. Our results may be relevant to biological systems and to the larger question of how equilibrium concepts might apply to nonequilibrium systems.
The fluctuation-dissipation (F-D) theorem is a fundamental result for systems near thermodynamic equilibrium, and justifies studies between microscopic and macroscopic properties. It states that the nonequilibrium relaxation dynamics is related to the spontaneous fluctuation at equilibrium. Most processes in Nature are out of equilibrium, for which we have limited theory. Common wisdom believes the F-D theorem is violated in general for systems far from equilibrium. Recently we show that dynamics of a dissipative system described by stochastic differential equations can be mapped to that of a …
The rates at which energy and particle densities move to equalize arbitrarily large temperature and chemical potential differences in an isolated quantum system have an emergent thermodynamical description whenever energy or particle current commutes with the Hamiltonian. Concrete examples include the energy current in the 1D spinless fermion model with nearest-neighbor interactions (XXZ spin chain), energy current in Lorentz-invariant theories or particle current in interacting Bose gases in arbitrary dimension. Even far from equilibrium, these rates are controlled by state functions, which w…
We provide experimental evidence of universal dynamics far from equilibrium during the relaxation of an isolated one-dimensional Bose gas. Following a rapid cooling quench, the system exhibits universal scaling in time and space, associated with the approach of a non-thermal fixed point. The time evolution within the scaling period is described by a single universal function and scaling exponent, independent of the specifics of the initial state. Our results provide a quantum simulation in a regime, where to date no theoretical predictions are available. This constitutes a crucial step in the …
e discuss the relevance of the Stillinger and Weber approach to the glass transition investigating the non-equilibrium behavior of models with non-trivial dynamics, but with simple equilibrium properties. We consider a family of 1D constrained kinetic models, which interpolates between the asymmetric chain introduced by Eisinger and Jäckle [Z. Phys. {\bf B84}, 115 (1991)] and the symmetric chain introduced by Fredrickson and Andersen [Phys. Rev. Lett {\bf 53}, 1244 (1984)], and the 1D version of the Backgammon model [Phys. Rev. Lett. {\bf 75}, 1190 (1995)]. We show that the configurational ent…
We investigate far from equilibrium energy transport in strongly coupled quantum critical systems. Combining results from gauge-gravity duality, relativistic hydrodynamics, and quantum field theory, we argue that long-time energy transport occurs via a universal steady-state for any spatial dimensionality. This is described by a boosted thermal state. We determine the transport properties of this emergent steady state, including the average energy flow and its long-time fluctuations.
An overview is given of theoretical progress on self-organization at the nanoscale in reactive systems of heterogeneous catalysis observed by field emission microscopy techniques and at the molecular scale in copolymerization processes. The results are presented in the perspective of recent advances in nonequilibrium thermodynamics and statistical mechanics, allowing us to understand how nanosystems driven away from equilibrium can manifest directionality and dynamical order.
We perform a dynamical finite-size scaling analysis of a nonequilibrium Bose gas which is confined in the transverse plane. Varying the transverse size, we establish a dimensional crossover for universal scaling properties far from equilibrium. Our results suggest that some aspects of the dynamical universal behavior of anisotropic systems can be classified in terms of fractional spatial dimensions. We discuss our findings in view of recent experimental results with quasi one-dimensional setups of quenched ultracold quantum gases.
Fluctuations associated with relaxations in far-from-equilibrium regime is of fundamental interest for a large variety of systems within broad scales. Recent advances in techniques such as spectroscopy have generated the possibility for measuring the fluctuations of the mesoscopic systems in connection to the relaxation processes when driving the underlying quantum systems far from equilibrium. We present a general nonequilibrium Fluctuation-Dissipation Theorem (FDT) for quantum Markovian processes where the detailed-balance condition is violated. Apart from the fluctuations, the relaxation in…
The energy conversion efficiency of far-from-equilibrium systems is generally limited by irreversible thermodynamic fluxes that make contact with different heat baths. For complex systems, the states of the maximum efficiency and the minimum entropy production are usually not equivalent. Here we show that the proper adjustments of the interaction between the energy and matter currents offer some important criteria for the performance characterizations of thermal agents, regardless of the system types and transition protocols. The universal thermodynamic coupling rule plays a critical role in i…
In this Rapid Communication we demonstrate the applicability of an augmented Gibbs ensemble Monte Carlo approach for the phase behavior determination of model colloidal systems with short-ranged depletion attraction and long-ranged repulsion. This technique allows for a quantitative determination of the phase boundaries and ground states in such systems. We demonstrate that gelation may occur in systems of this type as the result of arrested microphase separation, even when the equilibrium state of the system is characterized by compact microphase structures.
Possible universal dynamics of a many-body system far from thermal equilibrium are explored. A focus is set on meta-stable non-thermal states exhibiting critical properties such as self-similarity and independence of the details of how the respective state has been reached. It is proposed that universal dynamics far from equilibrium can be tuned to exhibit a dynamical phase transition where these critical properties change qualitatively. This is demonstrated for the case of a superfluid two-component Bose gas exhibiting different types of long-lived but non-thermal critical order. Scaling expo…
We show that, when a finite anisotropic Heisenberg spin-1/2 chain in the gapped regime is driven far from equilibrium, oppositely polarized ferromagnetic domains build up at the edges of the chain, thus suppressing quantum spin transport. As a consequence, a negative differential conductivity regime arises, where increasing the driving decreases the current. The above results are explained in terms of magnon localization and are shown to be structurally stable against breaking of integrability.
Far-from-equilibrium systems are ubiquitous in nature. They are also rich in terms of diversity and complexity. Therefore, it is an intellectual challenge to be able to understand the physics of far-from-equilibrium phenomena. In this paper we revisit a standard tabletop experiment, the Rayleigh-B{é}nard convection, to explore some fundamental questions and present a new perspective from a first-principles point of view. How non-equilibrium fluctuations differ from equilibrium fluctuations, how emergence of order out-of-equilibrium breaks symmetries in the system, or how free-energy of a syste…
