We provide an explicit representation of the nonequilibrium invariant measure for a chain of harmonic oscillators with conservative noise in the presence of stationary heat flow. By first determining the covariance matrix, we are able to express the measure as the product of Gaussian distributions aligned along some collective modes that are spatially localized with power-law tails. Numerical studies show that such a representation applies also to a purely deterministic model, the quartic Fermi-Pasta-Ulam chain.
We study a class of heat engines including Feynman's ratchet, which exhibits a directed motion of a particle in nonequilibrium steady states maintained by two heat baths. We measure heat transfer from each heat bath separately, and average them using a careful procedure that reveals the nature of the heat transfer associated with directed steps of the particle. Remarkably we find that steps are associated with nonvanishing heat transfer even in equilibrium, and there is a quantitative relation between this ``hidden heat transfer'' and the directed motion of the particle. This relation is clear…
Development of steady state thermodynamics and statistical mechanics depends crucially on our ability to develop notions of equilibrium thermodynamics for nonequilibrium steady states (NESS). The present paper considers the development of heat capacity. A modified definition is proposed which continues to maintain the same relation to steady state Shannon entropy as in equilibrium, thus providing a thermodynamically consistent treatment of NESS heat capacity.
In this thesis I study the dynamics of some nonequilibrium systems, using both computer simulations and theoretical tools. In particular, the following topics are studied: (i) metastability in a nonequilibrium ferromagnetic system, (ii) the onset of scale-free avalanches during metastable state decay, (iii) phase segregation under anisotropic nonequilibrium conditions, (iv) the microscopic basis of heat conduction and Fourier's law in low dimensional systems and, finally, (v) a problem related with the physics of absorbing states. The study of these nonequilibrium dynamic phenomena provides an…
We consider stationary driven systems in contact with a thermal equilibrium bath. There is a constant (Joule) heat dissipated from the steady system to the environment as long as all parameters are unchanged. As a natural generalization from equilibrium thermodynamics, the nonequilibrium heat capacity measures the excess in that dissipated heat when the temperature of the thermal bath is changed. To improve experimental accessibility we show how the heat capacity can also be obtained from the response of the instantaneous heat flux to small periodic temperature variations.
We apply the concept of a frequency-dependent effective temperature based on the fluctuation-dissipation ratio to a driven Brownian particle in a nonequilibrium steady state. Using this system as a thermostat for a weakly coupled harmonic oscillator, the oscillator thermalizes according to a canonical distribution at the respective effective temperature across the entire frequency spectrum. By turning the oscillator from a passive "thermometer" into a heat engine, we realize the cyclic extraction of work from a single thermal reservoir, which is feasible only due to its nonequilibrium nature.
In a quasi-one-dimensional system the particles remain ordered from left to right allowing the association of a volume element to the particle which on average resides there. Thus the properties of that single particle can give the local densities in the volume element. With reservoirs of different temperatures connected to each end of the system a steady heat current with an anomalous thermal conductivity results. A local configurational entropy density is calculated from two-particle correlation functions which varies locally within the nonequilibrium steady state. This local configurational…
We use a relationship between response and correlation function in nonequilibrium systems to establish a connection between the heat production and the deviations from the equilibrium fluctuation-dissipation theorem. This scheme extends the Harada-Sasa formulation [Phys. Rev. Lett. 95, 130602 (2005)], obtained for Langevin equations in steady states, as it also holds for transient regimes and for discrete jump processes involving small entropic changes. Moreover, a general formulation includes two times and the new concepts of two-time work, kinetic energy, and of a two-time heat exchange that…
Thermodynamic quantities of the hard-sphere system in the steady state with a small heat flux are calculated within the continuous media approach. Analytical expressions for pressure, internal energy, and entropy are found in the approximation of the fourth order in temperature gradients. It is shown that the gradient contributions to the internal energy depend on the volume, while the entropy satisfies the second law of thermodynamics for nonequilibrium processes. The calculations are performed for dimensions 3D, 2D, and 1D.
We show how to extend the concept of heat capacity to nonequilibrium systems. The main idea is to consider the excess heat released by an already dissipative system when slowly changing the environment temperature. We take the framework of Markov jump processes to embed the specific physics of small driven systems and we demonstrate that heat capacities can be consistently defined in the quasistatic limit. Away from thermal equilibrium, an additional term appears to the usual energy-temperature response at constant volume, explicitly in terms of the excess work. In linear order around an equil…
Recently, in their attempt to construct steady state thermodynamics (SST), Komatsu, Nakagwa, Sasa, and Tasaki found an extension of the Clausius relation to nonequilibrium steady states in classical stochastic processes. Here we derive a quantum mechanical version of the extended Clausius relation. We consider a small system of interest attached to large systems which play the role of heat baths. By only using the genuine quantum dynamics, we realize a heat conducting nonequilibrium steady state in the small system. We study the response of the steady state when the parameters of the system ar…
Among various possible routes to extend entropy and thermodynamics to nonequilibrium steady states (NESS), we take the one which is guided by operational thermodynamics and the Clausius relation. In our previous study, we derived the extended Clausius relation for NESS, where the heat in the original relation is replaced by its "renormalized" counterpart called the excess heat, and the Gibbs-Shannon expression for the entropy by a new symmetrized Gibbs-Shannon-like expression. Here we concentrate on Markov processes describing heat conducting systems, and develop a new method for deriving ther…
We examine stochastic processes that are used to model nonequilibrium processes (e.g, pulling RNA or dragging colloids) and so deliberately violate detailed balance. We argue that by combining an information-theoretic measure of irreversibility with nonequilibrium work theorems, the thermal physics implied by abstract dynamics can be determined. This measure is bounded above by thermodynamic entropy production and so may quantify how well a stochastic dynamics models reality. We also use our findings to critique various modeling approaches and notions arising in steady-state thermodynamics.
Nonequilibrium systems exchange the energy with an environment in the form of work and heat. The work done on a system obeys the fluctuation theorem, while the dissipated heat which differs from the work by the internal energy change does not. We derive the modified fluctuation relation for the heat in the overdamped Langevin system. It shows that mutual correlations among the work, the heat, and the internal energy change are responsible for the different fluctuation property of the work and the heat. The mutual correlation is investigated in detail in a two-dimensional linear diffusion syste…
The autonomous heat engine is a model system of autonomous nonequilibrium systems like biological cells, exploiting nonequilibrium flow for operations. As the Carnot engine has essentially contributed to the equilibrium thermodynamics, autonomous heat engine is expected to play a critical role in the challenge of constructing nonequilibrium thermodynamics. However, the high complexity of the engine involving an intricate coupling among heat, gas flow, and mechanics has prevented simple modeling. Here, we experimentally characterized the nonequilibrium dynamics and thermodynamics of a low-tempe…
I revisit the exactly solvable Kipnis--Marchioro--Presutti model of heat conduction [J. Stat. Phys. 27 65 (1982)] and describe, for one-dimensional systems of arbitrary sizes whose ends are in contact with thermal baths at different temperatures, a systematic characterization of their non-equilibrium stationary states. These arguments avoid resorting to the analysis of a dual process and yield a straightforward derivation of Fourier's law, as well as higher-order static correlations, such as the covariant matrix. The transposition of these results to families of gradient models generalizing th…
We present a fluctuation relation for heat dissipation in a nonequilibrium system. A nonequilibrium work is known to obey the fluctuation theorem in any time interval $t$. A heat, which differs from a work by an energy change, is shown to satisfy a modified fluctuation relation. Modification is brought by correlation between a heat and an energy change during nonequilibrium processes whose effect may not be negligible even in the $t\to\infty$ limit. The fluctuation relation is derived for overdamped Langevin equation systems, and tested in a linear diffusion system.
We generalize the Clausius (in)equality to overdamped mesoscopic and macroscopic diffusions in the presence of nonconservative forces. In contrast to previous frameworks, we use a decomposition scheme for heat which is based on an exact variant of the Minimum Entropy Production Principle as obtained from dynamical fluctuation theory. This new extended heat theorem holds true for arbitrary driving and does not require assumptions of local or close to equilibrium. The argument remains exactly intact for diffusing fields where the fields correspond to macroscopic profiles of interacting particles…
We give a decomposition expression for dissipative heat using the instantaneous diffusion coefficient in a nonequilibrium steady state. The dissipative heat can be expressed using three diffusion coefficients: instantaneous, equilibrium, and drift. An experimental application of the decomposition expression permits us to evaluate the heat dissipation rate from single-trajectory data only. We also numerically demonstrate this method.
The two-dimensional steady-state Boltzmann equation for hard-disk molecules in the presence of a temperature gradient has been solved explicitly to second order in density and the temperature gradient. The two-dimensional equation of state and some physical quantities are calculated from it and compared with those for the two-dimensional steady-state Bhatnagar-Gross-Krook(BGK) equation and information theory. We have found that the same kind of qualitative differences as the three-dimensional case among these theories still appear in the two-dimensional case.
Starting from microscopic mechanics, we derive thermodynamic relations for heat conducting nonequilibrium steady states. The extended Clausius relation enables one to experimentally determine nonequilibrium entropy to the second order in the heat current. The associated Shannon-like microscopic expression of the entropy is suggestive. When the heat current is fixed, the extended Gibbs relation provides a unified treatment of thermodynamic forces in linear nonequilibrium regime.
We consider quantum heat engines that operate between nonequilibrium stationary reservoirs. We evaluate their maximum efficiency from the positivity of the entropy production and show that it can be expressed in terms of an effective temperature that depends on the nature of the reservoirs. We further compute the efficiency at maximum power for different kinds of engineered reservoirs and derive a nonequilibrium generalization of the Clausius statement of the second law.
We study the nonequilibrium steady state realized in a general stochastic system attached to multiple heat baths and/or driven by an external force. Starting from the detailed fluctuation theorem we derive concise and suggestive expressions for the corresponding stationary distribution which are correct up to the second order in thermodynamic forces. The probability of a microstate $η$ is proportional to $\exp[Φ(η)]$ where $Φ(η)=-\sum_kβ_k\mathcal{E}_k(η)$ is the excess entropy change. Here $\mathcal{E}_k(η)$ is the difference between two kinds of conditioned path ensemble averages of excess h…
We use the work done on and the heat removed from a system to maintain it in a nonequilibrium steady state for a thermodynamic-like description of such a system as well as of its fluctuations. Based on a generalized Onsager-Machlup theory for nonequilibrium steady states we indicate two ambiguities, not present in an equilibrium state, in defining such work and heat: one due to a non-uniqueness of time-reversal procedures and another due to multiple possibilities to separate heat into work and an energy difference in nonequilibrium steady states. As a consequence, for such systems, the work an…
Some analogies between different nonequilibrium heat conduction models, particularly, random walk, discrete variable model, and Boltzmann transport equation with the single relaxation time approximation, have been discussed. We show that under an assumption of a finite value of the heat carriers velocity, these models lead to the hyperbolic heat conduction equation and the modified Fourier law with the relaxation term. Corresponding effective temperature and entropy have been introduced and analyzed. It has been demonstrated that the effective temperature, defined as a geometric mean of the ki…
We propose a nonequilibrium variational polaron transformation, based on an ansatz for nonequilibrium steady state (NESS) with an effective temperature, to study quantum heat transport at the nanoscale. By combining the variational polaron transformed master equation with the full counting statistics, we have extended the applicability of the polaron-based framework to study nonequilibrium process beyond the super-Ohmic bath models. Previously, the polaron-based framework for quantum heat transport reduces exactly to the non-interacting blip approximation (NIBA) formalism for Ohmic bath models…
A generalization of the Onsager-Machlup theory from equilibrium to nonequilibrium steady states and its connection with recent fluctuation theorems are discussed for a dragged particle restricted by a harmonic potential in a heat reservoir. Using a functional integral approach, the probability functional for a path is expressed in terms of a Lagrangian function from which an entropy production rate and dissipation functions are introduced, and nonequilibrium thermodynamic relations like the energy conservation law and the second law of thermodynamics are derived. Using this Lagrangian function…
Landauer's principle states that information erasure requires heat dissipation. Landauer's original result focused on equilibrium memories. We here investigate the reset of information stored in a nonequilibrium state of a symmetric two-state memory. We derive a nonequilibrium generalization of the erasure principle and demonstrate that the corresponding bounds on work and heat may be reduced to zero. We further introduce reset protocols that harness the initial preparation energy and entropy and so allow to reach these nonequilibrium bounds. We finally provide numerical simulations with reali…
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 study heat transport in a chain of harmonic oscillators with random elastic collisions between nearest-neighbours. The equations of motion of the covariance matrix are numerically solved for free and fixed boundary conditions. In the thermodynamic limit, the shape of the temperature profile and the value of the stationary heat flux depend on the choice of boundary conditions. For free boundary conditions, they also depend on the coupling strength with the heat baths. Moreover, we find a strong violation of local equilibrium at the chain edges that determine two boundary layers of size $\sqr…
Recently a novel concise representation of the probability distribution of heat conducting nonequilibrium steady states was derived. The representation is valid to the second order in the ``degree of nonequilibrium'', and has a very suggestive form where the effective Hamiltonian is determined by the excess entropy production. Here we extend the representation to a wide class of nonequilibrium steady states realized in classical mechanical systems where baths (reservoirs) are also defined in terms of deterministic mechanics. The present extension covers such nonequilibrium steady states with a…
In transformations between nonequilibrium stationary states, entropy might be a not well defined concept. It might be analogous to the ``heat content'' in transformations in equilibrium which is not well defined either, if they are not isochoric ({\it i.e.} do involve mechanical work). Hence we conjecture that un a nonequilbrium stationary state the entropy is just a quantity that can be transferred or created, like heat in equilibrium, but has no physical meaning as ``entropy content'' as a property of the system.
A pair of two-level systems initially prepared in different thermal states and coupled to an external reversible work source, do not in general reach a common temperature at the end of a unitary work extraction process. We define an effective temperature for the final nonequilibrium but passive state of the bipartite quantum system and analyse its properties.
Using information entropy formalism, we consider a one-dimensional system with heat flux and extend the meaning of equilibrium variables to non equilibrium scenarios when classical local equilibrium approach is not applicable; this is particularly important for the performance evaluation of modern thermal systems and microdevices, which usually operate in extreme situations. The extended non equilibrium entropy, temperature, thermal conductivity and heat capacity have been analyzed as functions of the local energy density (kinetic temperature) and heat flux.
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…
In a generalized framework for the Landauer erasure protocol, we study bounds on the heat dissipated in typical nonequilibrium quantum processes. In contrast to thermodynamic processes, quantum fluctuations are not suppressed in the nonequilibrium regime and cannot be ignored, making such processes difficult to understand and treat. Here we derive an emergent fluctuation relation that virtually guarantees the average heat produced to be dissipated into the reservoir either when the system or reservoir is large (or both) or when the temperature is high. The implication of our result is that for…
We study a symmetry property of momentum distribution functions in the steady state of heat conduction. When the equation of motion is symmetric under change of signs for all dynamical variables, the distribution function is also symmetric. This symmetry can be broken by introduction of an asymmetric term in the interaction potential or the on-site potential, or employing the thermal walls as heat reservoirs. We numerically find differences of behavior of the models with and without the on-site potential.
The thermodynamic properties of quantum heat engines are stochastic owing to the presence of thermal and quantum fluctuations. We here experimentally investigate the efficiency and nonequilibrium entropy production statistics of a spin-1/2 quantum Otto cycle. We first study the correlations between work and heat within a cycle by extracting their joint distribution for different driving times. We show that near perfect anticorrelation, corresponding to the tight-coupling condition, can be achieved. In this limit, the reconstructed efficiency distribution is peaked at the macroscopic efficiency…
We study the dynamics of covariances in a chain of harmonic oscillators with conservative noise in contact with two stochastic Langevin heat baths. The noise amounts to random collisions between nearest-neighbour oscillators that exchange their momenta. In a recent paper, [S Lepri et al. J. Phys. A: Math. Theor. 42 (2009) 025001], we have studied the stationary state of this system with fixed boundary conditions, finding analytical exact expressions for the temperature profile and the heat current in the thermodynamic (continuum) limit. In this paper we extend the analysis to the evolution of …
We study nonequilibrium fluctuation theorems in the presence of a time-reversal symmetry-breaking field and nonconservative forces, in a stochastic as well as a deterministic set up. We consider a system and a heat bath, called the combined system, and show that the fluctuation theorems are valid even when the heat bath goes out of equilibrium during driving. The only requirement for the validity is that, when the driving is switched off, the combined system relaxes to a state having a uniform probability measure on a constant energy surface, consistent with microcanonical ensemble of an isola…
The notion of a nonequilibrium heat capacity is important for bio-energetics and for calorimetry of active materials more generally. It centers around the notion of excess heat or excess work dissipated during a quasistatic relaxation between different nonequilibrium conditions. We give exact results for active random walks moving in an energy landscape on a graph, based on calculations employing the matrix-tree and matrix-forest theorems. That graphical method applies to any Markov jump process under the physical condition of local detailed balance, and is not restricted to the examples given…
In this work, we study the nonequilibrium statistical properties of the relaxation dynamics of a nanoparticle trapped in a harmonic potential. We report an exact time-dependent analytical solution to the Langevin dynamics that arises from the stochastic differential equation of our system's energy in the underdamped regime. By utilizing this stochastic thermodynamics approach, we are able to completely describe the heat exchange process between the nanoparticle and the surrounding environment. As an important consequence of our results, we observe the validity of the heat exchange fluctuation …
We show that finite system-reservoir coupling imposes a distinct quantum limit on the performance of a non-equilibrium quantum heat engine. Even in the absence of quantum friction along the isentropic strokes, finite system-reservoir coupling induces correlations that result in the generation of coherence between the energy eigenstates of the working system. This coherence acts to hamper the engine's power output, as well as the efficiency with which it can convert heat into useful work, and cannot be captured by a standard Born-Markov analysis of the system-reservoir interactions.
We investigate the motion of a colloidal particle driven out of equilibrium by an external torque. We use the molecular dynamics simulation that is alternative to the numerical integration approach based on the Langevin equation and is expected to mimic an experiment more realistically. We choose a heat bath composed of thousands of particles interacting to each other through the Lennard-Jones potential and impose the Langevin thermostat to maintain it in equilibrium. We prepare a single colloidal particle to interact with the particles of the heat bath also by the Lennard-Jones potential whil…
Thermodynamic Features of a Heat Engine Coupled with Exponentially Decreasing Temperature Across the Reaction Coordinate, as well as Perspectives on Nonequilibrium Thermodynamics
We study the quantum geometric heat flux in the nonequilibrium spin-boson model. By adopting the noninteracting-blip approximation that is able to accommodate the strong system-bath coupling, we show that there exists a nonzero geometric heat flux only when the two-level system is nondegenerate. Moreover, the pumping, no pumping, and dynamic control of geometric heat flux are discussed in detail, compared to the results with Redfield weak-coupling approximation. In particular, the geometric energy transfer induced by modulation of two system-bath couplings is identified, which is exclusive to …
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 …
We propose a machine learning approach based on artificial neural network to gain faster insights on the role of geometric contributions to the nonequilibrium fluctuations of an adiabatically temperature-driven quantum heat engine coupled to a cavity. Using the artificial neural network we have explored the interplay between bunched and antibunched photon exchange statistics for different engine parameters. We report that beyond a pivotal cavity temperature, the Fano factor oscillates between giant and low values as a function of phase difference between the driving protocols. We further obser…
Use of the extended definition of heat dQ=deQ+diQ converts the Clausius inequality dS greater than or equal to deQ/T0 into an equality dS=dQ/T involving the nonequilibrium temperature T of the system having the conventional interpretation that heat flows from hot to cold. The equality is applied to the exact quantum evolution of a 1-dimensional ideal gas free expansion. In a first ever calculation of its kind in an expansion which retains the memory of initial state, we determine the nonequilibrium temperature T and pressure P, which are then compared with the ratio P/T obtained by an independ…
Entropy might be a not well defined concept if the system can undergo transformations involving stationary nonequilibria. It might be analogous to the heat content (once called ``caloric'') in transformations that are not isochoric (i.e. which involve mechanical work): it could be just a quantity that can be transferred or created, like heat in equilibrium. The text first reviews the philosophy behind a recently proposed definition of entropy production in nonequilibrium stationary systems. A detailed technical attempt at defining the entropy of a stationary states via their variational proper…
A living non-Newtonian matter like the cell cortex and tissues are driven out-of-equilibrium at multiple spatial and temporal scales. The stochastic dynamics of a particle embedded in such a medium are non-Markovian, given by a generalized Langevin equation. Due to the non-Markovian nature of the dynamics, the heat dissipation and the entropy production rate cannot be computed using the standard methods for Markovian processes. In this work, to calculate heat dissipation, we use an effective Markov description of the non-Markovian dynamics, which includes the degrees-of-freedom of the medium. …
We study the stochastic energetic exchanges in quantum heat engines. Due to microreversibility, these obey a fluctuation relation, called the heat engine fluctuation relation, which implies the Carnot bound: no machine can have an efficiency larger than Carnot's efficiency. The stochastic thermodynamics of a quantum heat engine (including the joint statistics of heat and work and the statistics of efficiency) is illustrated by means of an optimal two-qubit heat engine, where each qubit is coupled to a thermal bath and a two-qubit gate determines energy exchanges between the two qubits. We disc…
We take the perspective of open quantum systems and examine from their nonequilibrium dynamics the conditions when the physical quantities, their relations and the laws of thermodynamics become well defined and viable for quantum many body systems. We first describe how an open system nonequilibrium dynamics (ONEq) approach is different from the closed combined system + environment in a global thermal state (CGTs) setup. Only after the open system equilibrates will it be amenable to conventional thermodynamics descriptions, thus quantum thermodynamics (QTD) comes at the end rather than assumed…
