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Showing papers on "Non-equilibrium thermodynamics published in 2016"


Journal ArticleDOI
TL;DR: A kinetic theory of elementary excitations is proposed and an exact expression for the expectation values of the charge currents in a generic stationary state is unveiled for the nonequilibrium time evolution of piecewise homogeneous states in the XXZ spin-1/2 chain.
Abstract: We consider the nonequilibrium time evolution of piecewise homogeneous states in the XXZ spin-1/2 chain, a paradigmatic example of an interacting integrable model. The initial state can be thought of as the result of joining chains with different global properties. Through dephasing, at late times, the state becomes locally equivalent to a stationary state which explicitly depends on position and time. We propose a kinetic theory of elementary excitations and derive a continuity equation which fully characterizes the thermodynamics of the model. We restrict ourselves to the gapless phase and consider cases where the chains are prepared: (1) at different temperatures, (2) in the ground state of two different models, and (3) in the "domain wall" state. We find excellent agreement (any discrepancy is within the numerical error) between theoretical predictions and numerical simulations of time evolution based on time-evolving block decimation algorithms. As a corollary, we unveil an exact expression for the expectation values of the charge currents in a generic stationary state.

639 citations


Journal ArticleDOI
TL;DR: The authors' bounds provide a general class of constraints for nonequilibrium systems and show that the parabolic bound is also valid for three paradigmatic examples of driven diffusive systems for which the generating function can be calculated using the additivity principle.
Abstract: For current fluctuations in nonequilibrium steady states of Markovian processes, we derive four different universal bounds valid beyond the Gaussian regime. Different variants of these bounds apply to either the entropy change or any individual current, e.g., the rate of substrate consumption in a chemical reaction or the electron current in an electronic device. The bounds vary with respect to their degree of universality and tightness. A universal parabolic bound on the generating function of an arbitrary current depends solely on the average entropy production. A second, stronger bound requires knowledge both of the thermodynamic forces that drive the system and of the topology of the network of states. These two bounds are conjectures based on extensive numerics. An exponential bound that depends only on the average entropy production and the average number of transitions per time is rigorously proved. This bound has no obvious relation to the parabolic bound but it is typically tighter further away from equilibrium. An asymptotic bound that depends on the specific transition rates and becomes tight for large fluctuations is also derived. This bound allows for the prediction of the asymptotic growth of the generating function. Even though our results are restricted to networks with a finite number of states, we show that the parabolic bound is also valid for three paradigmatic examples of driven diffusive systems for which the generating function can be calculated using the additivity principle. Our bounds provide a general class of constraints for nonequilibrium systems.

243 citations


Journal ArticleDOI
TL;DR: In this paper, a one-dimensional chain of 72 microwave cavities, coupled to a superconducting qubit, was used to coherently drive the system into a nonequilibrium steady state.
Abstract: Condensed matter physics has been driven forward by significant experimental and theoretical progress in the study and understanding of equilibrium phase transitions based on symmetry and topology. However, nonequilibrium phase transitions have remained a challenge, in part due to their complexity in theoretical descriptions and the additional experimental difficulties in systematically controlling systems out of equilibrium. Here, we study a one-dimensional chain of 72 microwave cavities, each coupled to a superconducting qubit, and coherently drive the system into a nonequilibrium steady state. We find experimental evidence for a dissipative phase transition in the system in which the steady state changes dramatically as the mean photon number is increased. Near the boundary between the two observed phases, the system demonstrates bistability, with characteristic switching times as long as 60 ms -- far longer than any of the intrinsic rates known for the system. This experiment demonstrates the power of circuit QED systems for studying nonequilibrium condensed matter physics and paves the way for future experiments exploring nonequilbrium physics with many-body quantum optics.

183 citations


Journal ArticleDOI
TL;DR: By introducing a modified quantum Otto cycle, this work fully characterizes operational regimes forbidden in the standard case, such as refrigeration and work extraction at the same time, accompanied by efficiencies equal to unity.
Abstract: We analyze the entropy production and the maximal extractable work from a squeezed thermal reservoir. The nonequilibrium quantum nature of the reservoir induces an entropy transfer with a coherent contribution while modifying its thermal part, allowing work extraction from a single reservoir, as well as great improvements in power and efficiency for quantum heat engines. Introducing a modified quantum Otto cycle, our approach fully characterizes operational regimes forbidden in the standard case, such as refrigeration and work extraction at the same time, accompanied by efficiencies equal to unity.

170 citations


Journal ArticleDOI
TL;DR: In this article, reaction coordinate mapping is used to define the system and environment such that the effective, redefined system is again coupled weakly to Markovian residual baths and thus, allows to derive a consistent thermodynamic framework for this new system-environment partition.
Abstract: We propose a method to study the thermodynamic behaviour of small systems beyond the weak coupling and Markovian approximation, which is different in spirit from conventional approaches. The idea is to redefine the system and environment such that the effective, redefined system is again coupled weakly to Markovian residual baths and thus, allows to derive a consistent thermodynamic framework for this new system-environment partition. To achieve this goal we make use of the reaction coordinate (RC) mapping, which is a general method in the sense that it can be applied to an arbitrary (quantum or classical and even time-dependent) system coupled linearly to an arbitrary number of harmonic oscillator reservoirs. The core of the method relies on an appropriate identification of a part of the environment (the RC), which is subsequently included as a part of the system. We demonstrate the power of this concept by showing that non-Markovian effects can significantly enhance the steady state efficiency of a three-level-maser heat engine, even in the regime of weak system-bath coupling. Furthermore, we show for a single electron transistor coupled to vibrations that our method allows one to justify master equations derived in a polaron transformed reference frame.

163 citations


Journal ArticleDOI
TL;DR: In this article, the development of continuum models to describe processes in gases in which the particle collisions cannot maintain thermal equilibrium is discussed, and typical results are reviewed for channel flow, cavity flow, and flow past a sphere in the low-Mach number setting for which both evolution equations and boundary conditions are well established.
Abstract: This article discusses the development of continuum models to describe processes in gases in which the particle collisions cannot maintain thermal equilibrium. Such a situation typically is present in rarefied or diluted gases, for flows in microscopic settings, or in general whenever the Knudsen number—the ratio between the mean free path of the particles and a macroscopic length scale—becomes significant. The continuum models are based on the stochastic description of the gas by Boltzmann's equation in kinetic gas theory. With moment approximations, extended fluid dynamic equations can be derived, such as the regularized 13-moment equations. Moment equations are introduced in detail, and typical results are reviewed for channel flow, cavity flow, and flow past a sphere in the low–Mach number setting for which both evolution equations and boundary conditions are well established. Conversely, nonlinear, high-speed processes require special closures that are still under development. Current approaches are ...

157 citations


Journal ArticleDOI
TL;DR: In this paper, a thermodynamic theory of chemical networks that process energy and information from their surroundings is presented, which plays an integral role in cellular functioning, and a thermodynamical theory of such networks is presented.
Abstract: Coupled chemical reactions play an integral role in cellular functioning. A thermodynamical theory of chemical networks that process energy and information from their surroundings is presented.

129 citations


Journal ArticleDOI
TL;DR: It is argued that the relationship for the Fano factor of the entropy production rate varσ/meanσ≥2 is the most significant realization of the loose bound.
Abstract: We connect two recent advances in the stochastic analysis of nonequilibrium systems: the (loose) uncertainty principle for the currents, which states that statistical errors are bounded by thermodynamic dissipation, and the analysis of thermodynamic consistency of the currents in the light of symmetries. Employing the large deviation techniques presented by Gingrich et al. [Phys. Rev. Lett. 116, 120601 (2016)PRLTAO0031-900710.1103/PhysRevLett.116.120601] and Pietzonka, Barato, and Seifert [Phys. Rev. E 93, 052145 (2016)2470-004510.1103/PhysRevE.93.052145], we provide a short proof of the loose uncertainty principle, and prove a tighter uncertainty relation for a class of thermodynamically consistent currents J. Our bound involves a measure of partial entropy production, that we interpret as the least amount of entropy that a system sustaining current J can possibly produce, at a given steady state. We provide a complete mathematical discussion of quadratic bounds which allows one to determine which are optimal, and finally we argue that the relationship for the Fano factor of the entropy production rate varσ/meanσ≥2 is the most significant realization of the loose bound. We base our analysis both on the formalism of diffusions, and of Markov jump processes in the light of Schnakenberg's cycle analysis.

129 citations


Journal ArticleDOI
TL;DR: In this paper, the authors propose a method to study the thermodynamic behavior of small systems beyond the weak coupling and Markovian approximation, which is different in spirit from conventional approaches.
Abstract: We propose a method to study the thermodynamic behaviour of small systems beyond the weak coupling and Markovian approximation, which is different in spirit from conventional approaches. The idea is to redefine the system and environment such that the effective, redefined system is again coupled weakly to Markovian residual baths and thus, allows to derive a consistent thermodynamic framework for this new system-environment partition. To achieve this goal we make use of the reaction coordinate mapping, which is a general method in the sense that it can be applied to an arbitrary (quantum or classical and even time-dependent) system coupled linearly to an arbitrary number of harmonic oscillator reservoirs. The core of the method relies on an appropriate identification of a part of the environment (the reaction coordinate), which is subsequently included as a part of the system. We demonstrate the power of this concept by showing that non-Markovian effects can significantly enhance the steady state efficiency of a three-level-maser heat engine, even in the regime of weak system-bath coupling. Furthermore, we show for a single electron transistor coupled to vibrations that our method allows one to justify master equations derived in a polaron transformed reference frame.

107 citations


Journal ArticleDOI
TL;DR: It is found that general design principles for this challenging problem can be obtained by applying ideas from the field of stochastic thermodynamics to nonequilibrium self-assembly problems, and the results constrain the set of possible configurations achievable under a nonequ equilibrium drive.
Abstract: We consider an important class of self-assembly problems, and using the formalism of stochastic thermodynamics, we derive a set of design principles for growing controlled assemblies far from equilibrium. The design principles constrain the set of configurations that can be obtained under nonequilibrium conditions. Our central result provides intuition for how equilibrium self-assembly landscapes are modified under finite nonequilibrium drive.

83 citations


Journal ArticleDOI
TL;DR: In this paper, the exact solution of the linearized Boltzmann transport equation was used to calculate thermoelectric transport coefficients, including the effect of nonequilibrium phonon populations induced by a temperature gradient.
Abstract: We present a first-principles computational approach to calculate thermoelectric transport coefficients via the exact solution of the linearized Boltzmann transport equation, also including the effect of nonequilibrium phonon populations induced by a temperature gradient. We use density functional theory and density functional perturbation theory for an accurate description of the electronic and vibrational properties of a system, including electron-phonon interactions; carriers' scattering rates are computed using standard perturbation theory. We exploit Wannier interpolation (both for electronic bands and electron-phonon matrix elements) for an efficient sampling of the Brillouin zone, and the solution of the Boltzmann equation is achieved via a fast and stable conjugate gradient scheme. We discuss the application of this approach to $n$-doped silicon. In particular, we discuss a number of thermoelectric properties such as the thermal and electrical conductivities of electrons, the Lorenz number and the Seebeck coefficient, including the phonon drag effect, in a range of temperatures and carrier concentrations. This approach gives results in good agreement with experimental data and provides a detailed characterization of the nature and the relative importance of the individual scattering mechanisms. Moreover, the access to the exact solution of the Boltzmann equation for a realistic system provides a direct way to assess the accuracy of different flavors of relaxation time approximation, as well as of models that are popular in the thermoelectric community to estimate transport coefficients.

Journal ArticleDOI
TL;DR: It is shown that, as the confinement of the particle increases, the stationary probability distribution of a Brownian particle confined within a harmonic potential becomes non-Boltzmann, featuring a transition from a Gaussian distribution to a heavy-tailed distribution.
Abstract: Most natural and engineered processes, such as biomolecular reactions, protein folding, and population dynamics, occur far from equilibrium and therefore cannot be treated within the framework of classical equilibrium thermodynamics. Here we experimentally study how some fundamental thermodynamic quantities and relations are affected by the presence of the nonequilibrium fluctuations associated with an active bath. We show in particular that, as the confinement of the particle increases, the stationary probability distribution of a Brownian particle confined within a harmonic potential becomes non-Boltzmann, featuring a transition from a Gaussian distribution to a heavy-tailed distribution. Because of this, nonequilibrium relations (e.g., the Jarzynski equality and Crooks fluctuation theorem) cannot be applied. We show that these relations can be restored by using the effective potential associated with the stationary probability distribution. We corroborate our experimental findings with theoretical arguments.

Journal ArticleDOI
TL;DR: In this paper, the authors use enhanced sampling computational methods and analytic theory to examine the kinetics of formation of the dense phase, and show that the formation kinetics can be described using an approach analogous to equilibrium classical nucleation theory, governed by an effective free energy of cluster formation.
Abstract: Nonaligning self-propelled particles with purely repulsive excluded volume interactions undergo athermal motility-induced phase separation into a dilute gas and a dense cluster phase. Here, we use enhanced sampling computational methods and analytic theory to examine the kinetics of formation of the dense phase. Despite the intrinsically nonequilibrium nature of the phase transition, we show that the kinetics can be described using an approach analogous to equilibrium classical nucleation theory, governed by an effective free energy of cluster formation with identifiable bulk and surface terms. The theory captures the location of the binodal, nucleation rates as a function of supersaturation, and the cluster size distributions below the binodal, while discrepancies in the metastable region reveal additional physics about the early stages of active crystal formation. The success of the theory shows that a framework similar to equilibrium thermodynamics can be obtained directly from the microdynamics of an active system, and can be used to describe the kinetics of evolution toward nonequilibrium steady states.

Journal ArticleDOI
TL;DR: In this article, a 2D discrete Boltzmann model for combustion is presented and compared with analytical solutions based on both the first-order and second-order truncations of the distribution function.

Journal ArticleDOI
TL;DR: In this paper, the authors analyze the time-resolved energy transport and the entropy production in ac-driven quantum coherent electron systems coupled to multiple reservoirs at finite temperature, and show the importance of the energy stored in the contact and central regions for the second law of thermodynamics to be instantaneously satisfied.
Abstract: We analyze the time-resolved energy transport and the entropy production in ac-driven quantum coherent electron systems coupled to multiple reservoirs at finite temperature. At slow driving, we formulate the first and second laws of thermodynamics valid at each instant of time. We identify heat fluxes flowing through the different pieces of the device and emphasize the importance of the energy stored in the contact and central regions for the second law of thermodynamics to be instantaneously satisfied. In addition, we discuss conservative and dissipative contributions to the heat flux and to the entropy production as a function of time. We illustrate these ideas with a simple model corresponding to a driven level coupled to two reservoirs with different chemical potentials.

Journal ArticleDOI
TL;DR: New vibrational-translational (VT), vibratory-rotational- Translational-Translational(VRT) energy exchange, and dissociation models are developed based on QCT observations and maximum entropy considerations, which makes it feasible to upscale ab initio simulation to full nonequilibrium flow calculations.
Abstract: Quasi-classical trajectory (QCT) calculations are used to study state-specific ro-vibrational energy exchange and dissociation in the O2 + O system. Atom-diatom collisions with energy between 0.1 and 20 eV are calculated with a double many body expansion potential energy surface by Varandas and Pais [Mol. Phys. 65, 843 (1988)]. Inelastic collisions favor mono-quantum vibrational transitions at translational energies above 1.3 eV although multi-quantum transitions are also important. Post-collision vibrational favoring decreases first exponentially and then linearly as Δv increases. Vibrationally elastic collisions (Δv = 0) favor small ΔJ transitions while vibrationally inelastic collisions have equilibrium post-collision rotational distributions. Dissociation exhibits both vibrational and rotational favoring. New vibrational-translational (VT), vibrational-rotational-translational (VRT) energy exchange, and dissociation models are developed based on QCT observations and maximum entropy considerations. Full set of parameters for state-to-state modeling of oxygen is presented. The VT energy exchange model describes 22 000 state-to-state vibrational cross sections using 11 parameters and reproduces vibrational relaxation rates within 30% in the 2500-20 000 K temperature range. The VRT model captures 80 × 10(6) state-to-state ro-vibrational cross sections using 19 parameters and reproduces vibrational relaxation rates within 60% in the 5000-15 000 K temperature range. The developed dissociation model reproduces state-specific and equilibrium dissociation rates within 25% using just 48 parameters. The maximum entropy framework makes it feasible to upscale ab initio simulation to full nonequilibrium flow calculations.

Journal ArticleDOI
TL;DR: In this paper, the authors study the statistics of infima, stopping times and passage probabilities of entropy production in nonequilibrium steady states, and show that they are universal for simple colloidal systems and in active molecular processes.
Abstract: We study the statistics of infima, stopping times and passage probabilities of entropy production in nonequilibrium steady states, and show that they are universal. We consider two examples of stopping times: first-passage times of entropy production and waiting times of stochastic processes, which are the times when a system reaches for the first time a given state. Our main results are: (i) the distribution of the global infimum of entropy production is exponential with mean equal to minus Boltzmann's constant; (ii) we find the exact expressions for the passage probabilities of entropy production to reach a given value; (iii) we derive a fluctuation theorem for stopping-time distributions of entropy production. These results have interesting implications for stochastic processes that can be discussed in simple colloidal systems and in active molecular processes. In particular, we show that the timing and statistics of discrete chemical transitions of molecular processes, such as, the steps of molecular motors, are governed by the statistics of entropy production. We also show that the extreme-value statistics of active molecular processes are governed by entropy production, for example, the infimum of entropy production of a motor can be related to the maximal excursion of a motor against the direction of an external force. Using this relation, we make predictions for the distribution of the maximum backtrack depth of RNA polymerases, which follows from our universal results for entropy-production infima.

Journal ArticleDOI
20 Jul 2016-Entropy
TL;DR: An attempt to propose a generalized theory of evolution which is based on the concept of tribo-fatigue entropy, which is determined by the processes of damageability conditioned by thermodynamic and mechanical effects causing to the change of states of any systems.
Abstract: Mechanics from its side and thermodynamics from its side consider evolution of complex systems, including the Universe. Created classical thermodynamic theory of evolution has one important drawback since it predicts an inevitable heat death of the Universe which is unlikely to take place according to the modern perceptions. The attempts to create a generalized theory of evolution in mechanics were unsuccessful since mechanical equations do not discriminate between future and past. It is natural that the union of mechanics and thermodynamics was difficult to realize since they are based on different methodology. We make an attempt to propose a generalized theory of evolution which is based on the concept of tribo-fatigue entropy. Essence of the proposed approach is that tribo-fatigue entropy is determined by the processes of damageability conditioned by thermodynamic and mechanical effects causing to the change of states of any systems. Law of entropy increase is formulated analytically in the general form. Mechanothermodynamical function is constructed for specific case of fatigue damage of materials due to variation of temperature from 3 K to 0.8 of melting temperature basing on the analysis of 136 experimental results.

Journal ArticleDOI
TL;DR: In this article, a rigorous nonequilibrium thermodynamic description for open chemical reaction networks of elementary reactions is presented, where the energy and entropy balances are established, and a none-quilibrium Gibbs free energy is introduced.
Abstract: We build a rigorous nonequilibrium thermodynamic description for open chemical reaction networks of elementary reactions. Their dynamics is described by deterministic rate equations satisfying mass action law. Our most general framework considers open networks driven by time-dependent chemostats. The energy and entropy balances are established and a nonequilibrium Gibbs free energy is introduced. The difference between this latter and its equilibrium form represents the minimal work done by the chemostats to bring the network in its nonequilibrium state. It is minimized in nondriven detailed-balanced networks (i.e. networks which relax to equilibrium states) and has an interesting information-theoretic interpretation. We further show that the entropy production of complex balanced networks (i.e. networks which relax to special kinds of nonequilibrium steady states) splits into two non-negative contributions. One charaterizing the dissipation of the nonequilibrium steady state and the other the transients due to relaxation and driving. Our theory lays the path to study time-dependent energy and information transduction in biochemical networks.

Journal ArticleDOI
TL;DR: The hydrodynamic slip length was found to be channel-size independent using equilibrium calculations, i.e., suggesting a consistency with the definition of a surface property, for 5-nm channels and larger.
Abstract: Equilibrium and nonequilibrium molecular dynamics simulations were conducted in order to evaluate the hypothesis that the hydrodynamic slip length is a surface property. The system under investigation was water confined between two graphite layers to form nanochannels of different sizes (3-8 nm). The water-carbon interaction potential was calibrated by matching wettability experiments of graphitic-carbon surfaces free of airborne hydrocarbon contamination. Three equilibrium theories were used to calculate the hydrodynamic slip length. It was found that one of the recently reported equilibrium theories for the calculation of the slip length featured confinement effects, while the others resulted in calculations significantly hindered by the large margin of error observed between independent simulations. The hydrodynamic slip length was found to be channel-size independent using equilibrium calculations, i.e., suggesting a consistency with the definition of a surface property, for 5-nm channels and larger. The analysis of the individual trajectories of liquid particles revealed that the reason for observing confinement effects in 3-nm nanochannels is the high mobility of the bulk particles. Nonequilibrium calculations were not consistently affected by size but by noisiness in the smallest systems.

Journal ArticleDOI
TL;DR: In this paper, a response matrix whose elements are given by a far-from-equilibrium Green-Kubo formula, involving the decay of correlations evaluated in the nonequilibrium steady state, is described.
Abstract: Transitions between nonequilibrium steady states obey a generalized Clausius inequality, which becomes an equality in the quasistatic limit. For slow but finite transitions, we show that the behavior of the system is described by a response matrix whose elements are given by a far-from-equilibrium Green–Kubo formula, involving the decay of correlations evaluated in the nonequilibrium steady state. This result leads to a fluctuation-dissipation relation between the mean and variance of the nonadiabatic entropy production, . Furthermore, our results extend—to nonequilibrium steady states—the thermodynamic metric structure introduced by Sivak and Crooks for analyzing minimal-dissipation protocols for transitions between equilibrium states.

Journal ArticleDOI
TL;DR: It is argued that mesoscopic stochastic NET in phase space provides a rigorous mathematical basis of fundamental concepts needed for understanding complex processes in chemistry, physics and biology and is also relevant for nanoscale technological advances.
Abstract: 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 context is elucidated. Chemomechanical, thermomechanical, and enzyme-catalyzed thermochemical energy transduction processes are discussed. It is argued that mesoscopic stochastic NET in phase space provides a rigorous mathematical basis of fundamental concepts needed for understanding complex processes in chemistry, physics and biology. This theory is also relevant for nanoscale technological advances.

Journal ArticleDOI
TL;DR: In this paper, the authors derived very general relations of the Butler-Volmer structure based on a rigorous non-equilibrium thermodynamic model and allow for adaption to a wide variety of electrochemical systems.
Abstract: Electron transfer reactions are commonly described by the phenomenological Butler–Volmer equation which has its origin in kinetic theories. The Butler–Volmer equation relates interfacial reaction rates to bulk quantities like the electrostatic potential and electrolyte concentrations. Although the general structure of the equation is well accepted, for modern electrochemical systems like batteries and fuel cells there is still intensive discussion about the specific dependencies of the coefficients. A general guideline for the derivation of Butler–Volmer type equations is missing in the literature. We derive very general relations of Butler–Volmer structure which are based on a rigorous non-equilibrium thermodynamic model and allow for adaption to a wide variety of electrochemical systems. We discuss the application of the new thermodynamic approach to different scenarios like the classical electron transfer reactions at metal electrodes and the intercalation process in lithium–iron–phosphate electrodes. Furthermore we show that under appropriate conditions also adsorption processes can lead to Butler–Volmer equations. We illustrate the application of our theory by a strongly simplified example of electroplating.

Journal ArticleDOI
TL;DR: In this paper, it was shown that energy transport proceeds by the formation of an instantaneous shock wave and a broadening rarefaction wave on either side of the interface, and not by two shock waves as previously proposed.
Abstract: We reexamine the emergence of a universal nonequilibrium steady state following a local quench between quantum critical heat baths in spatial dimensions greater than one. We show that energy transport proceeds by the formation of an instantaneous shock wave and a broadening rarefaction wave on either side of the interface, and not by two shock waves as previously proposed. For small temperature differences the universal steady state energy currents of the two-shock and rarefaction-shock solutions coincide. Over a broad range of parameters, the difference in the energy flow across the interface between these two solutions is at the level of 2%. The properties of the energy flow remain fully universal and independent of the microscopic theory. We briefly discuss the width of the shock wave in a viscous fluid, the effects of momentum relaxation, and the generalization to charged fluids.

Journal ArticleDOI
TL;DR: In this paper, a model of spin-1=2 on a lattice interacting through an XYZ Hamiltonian is presented, with spin flips coupled to an independent environment that induces incoherent spin flips.
Abstract: We show that short-range correlations have a dramatic impact on the steady-state phase diagram of quantum driven-dissipative systems. This effect, never observed in equilibrium, follows from the fact that ordering in the steady state is of dynamical origin, and is established only at very long times, whereas in thermodynamic equilibrium it arises from the properties of the (free) energy. To this end, by combining the cluster methods extensively used in equilibrium phase transitions to quantum trajectories and tensor-network techniques, we extend them to nonequilibrium phase transitions in dissipative many-body systems. We analyze in detail a model of spin-1=2 on a lattice interacting through an XYZ Hamiltonian, each of them coupled to an independent environment that induces incoherent spin flips. In the steady-state phase diagram derived from our cluster approach, the location of the phase boundaries and even its topology radically change, introducing reentrance of the paramagnetic phase as compared to the single-site mean field where correlations are neglected. Furthermore, a stability analysis of the cluster mean field indicates a susceptibility towards a possible incommensurate ordering, not present if short-range correlations are ignored.

Journal ArticleDOI
TL;DR: The authors showed that negative temperature is a valid extension of thermodynamics for systems with non-monotonic energy densities, while a definition of entropy based on the probability distributions of macroscopic variables does satisfy the postulates of thermodynamic.
Abstract: The concept of negative temperature has recently received renewed interest in the context of debates about the correct definition of the thermodynamic entropy in statistical mechanics. Several researchers have identified the thermodynamic entropy exclusively with the “volume entropy” suggested by Gibbs, and have further concluded that by this definition, negative temperatures violate the principles of thermodynamics. We disagree with these conclusions. We demonstrate that volume entropy is inconsistent with the postulates of thermodynamics for systems with non-monotonic energy densities, while a definition of entropy based on the probability distributions of macroscopic variables does satisfy the postulates of thermodynamics. Our results confirm that negative temperature is a valid extension of thermodynamics.

Journal ArticleDOI
TL;DR: In this paper, a thermodynamically consistent, large-strain, multi-phase field approach is generalized for the case of anisotropic interface (gradient) energy (e.g. an energy density that depends both on the magnitude and direction of the gradients in the phase fields).
Abstract: A thermodynamically consistent, large-strain, multi-phase field approach (with consequent interface stresses) is generalized for the case with anisotropic interface (gradient) energy (e.g. an energy density that depends both on the magnitude and direction of the gradients in the phase fields). Such a generalization, if done in the “usual” manner, yields a theory that can be shown to be manifestly unphysical. These theories consider the gradient energy as anisotropic in the deformed configuration, and, due to this supposition, several fundamental contradictions arise. First, the Cauchy stress tensor is non-symmetric and, consequently, violates the moment of momentum principle, in essence the Herring (thermodynamic) torque is imparting an unphysical angular momentum to the system. In addition, this non-symmetric stress implies a violation of the principle of material objectivity. These problems in the formulation can be resolved by insisting that the gradient energy is an isotropic function of the gradient of the order parameters in the deformed configuration, but depends on the direction of the gradient of the order parameters (is anisotropic) in the undeformed configuration. We find that for a propagating nonequilibrium interface, the structural part of the interfacial Cauchy stress is symmetric and reduces to a biaxial tension with the magnitude equal to the temperature- and orientation-dependent interface energy. Ginzburg–Landau equations for the evolution of the order parameters and temperature evolution equation, as well as the boundary conditions for the order parameters are derived. Small strain simplifications are presented. Remarkably, this anisotropy yields a first order correction in the Ginzburg–Landau equation for small strains, which has been neglected in prior works. The next strain-related term is third order. For concreteness, specific orientation dependencies of the gradient energy coefficients are examined, using published molecular dynamics studies of cubic crystals. In order to consider a fully specified system, a typical sixth order polynomial phase field model is considered. Analytical solutions for the propagating interface and critical nucleus are found, accounting for the influence of the anisotropic gradient energy and elucidating the distribution of components of interface stresses. The orientation-dependence of the nonequilibrium interface energy is first suitably defined and explicitly determined analytically, and the associated width is also found. The developed formalism is applicable to melting/solidification and crystal-amorphous transformation and can be generalized for martensitic and diffusive phase transformations, twinning, fracture, and grain growth, for which interface energy depends on interface orientation of crystals from either side.


Journal ArticleDOI
TL;DR: In this article, the authors generalize the electrostatic duality, which represents vortices as Coulomb charges, to a full electrodynamic description of the nonequilibrium system.
Abstract: Superfluidity in two dimensions relies on the stability of a vortex imposed by external rotation of the fluid. It is lost if the flow around the test vortex is screened by spontaneously generated free vortices. In thermal equilibrium, this occurs through a Kosterlitz-Thouless phase transition, where vortex-antivortex pairs bound by Coulomb-like forces unbind only above the critical temperature. Recent experiments with exciton-polariton fluids and other driven dissipative systems raise the question of how this physics changes away from thermal equilibrium. In this paper, the authors generalize the electrostatic duality, which represents vortices as Coulomb charges, to a full electrodynamic description of the nonequilibrium system. The unbinding of vortices is analyzed within this theory using a renormalization group framework. In contrast to the equilibrium case, it is found that vortices always unbind beyond a large emergent length scale due to nonlinearities in the field dynamics. Hence, there is no superfluidity in a truly infinite driven system, while a finite system may appear as a superfluid. The heuristic derivation of the dual electrodynamics presented in this paper is supplemented by a systematic one starting from a microscopic lattice theory in a companion paper.

Journal ArticleDOI
TL;DR: In this article, a theoretical analysis shows that these two classes of motors are thermodynamically equivalent and that they can be powered by either a chemical fuel or time-dependent changes in their surrounding environment.
Abstract: Motors that perform work can be powered by either a chemical fuel or time-dependent changes in their surrounding environment. A theoretical analysis shows that these two classes of motors are thermodynamically equivalent.