Stochastic resonance and scale invariance in nonequilibrium metastable states

Using computer simulations, we study metastability in a two-dimensional Ising ferromagnet relaxing toward a nonequilibrium steady state. The interplay between thermal and nonequilibrium fluctuations induces resonant and scale-invariant phenomena not observed in equilibrium. In particular, we measure noise-enhanced stability of the metastable state in a nonequilibrium environment. The limit of metastability, or pseudospinodal separating the metastable regime from the unstable one, exhibits reentrant behavior as a function of temperature for strong nonequilibrium conditions. Furthermore, when subject to both open boundaries and nonequilibrium fluctuations, the metastable system decays via well-defined avalanches. These exhibit power-law size and lifetime distributions, resembling the scale-free avalanche dynamics observed in real magnets and other complex systems. We expect some of these results to be verifiable in actual (impure) specimens.     

Nonequilibrium free-energy relations for thermal changes

The Jarzynski equality and the Crooks fluctuation theorem enable the calculation of the change in a system's free energy from nonequilibrium path integrals. These relations consider processes where the system is driven out of equilibrium by a mechanical external agent while remaining in contact with a thermal reservoir at a fixed temperature. We generalize these relations to describe processes driven by any type of external agent, be it thermal or mechanical. Attention is given to the case of a system, initially in equilibrium, that is driven through a temperature change by a heat reservoir. The results are cast in a form applicable to experiments.     

Extended Clausius Relation and Entropy for Nonequilibrium Steady States in Heat Conducting Quantum Systems

Recently, in their attempt to construct steady state thermodynamics (SST), Komatsu, Nakagawa, 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 are changed abruptly, and show that the extended Clausius relation, in which “heat” is replaced by the “excess heat”, is valid when the temperature difference is small. Moreover we show that the entropy that appears in the relation is similar to von Neumann entropy but has an extra symmetrization with respect to time-reversal. We believe that the present work opens a new possibility in the study of nonequilibrium phenomena in quantum systems, and also confirms the robustness of the approach by Komatsu et al.     

A General Fluctuation–Response Relation for Noise Variations and its Application to Driven Hydrodynamic Experiments

The effect of a change of noise amplitudes in overdamped diffusive systems is linked to their unperturbed behavior by means of a nonequilibrium fluctuation–response relation. This formula holds also for systems with state-independent nontrivial diffusivity matrices, as we show with an application to an experiment of two trapped and hydrodynamically coupled colloids, one of which is subject to an external random forcing that mimics an effective temperature. The nonequilibrium susceptibility of the energy to a variation of this driving is an example of our formulation, which improves an earlier version, as it does not depend on the time-discretization of the stochastic dynamics. This scheme holds for generic systems with additive noise and can be easily implemented numerically, thanks to matrix operations.     

Transition state theory: A generalization to nonequilibrium systems with power-law distributions

Transition state theory (TST) is generalized to nonequilibrium systems with power-law distributions. The stochastic dynamics that gives rise to the power-law distributions for the reaction coordinate and momentum is modeled by Langevin equations and corresponding Fokker-Planck equations. It is considered that a system far away from equilibrium does not have to relax to a thermal equilibrium state with Boltzmann-Gibbs distribution, but asymptotically approaches a nonequilibrium stationary state with a power-law distribution. Thus, we obtain a possible generalization of TST rates to nonequilibrium systems with power-law distributions. Furthermore, we derive the generalized TST rate constants for one-dimensional and n-dimensional Hamiltonian systems away from equilibrium, and obtain a generalized Arrhenius rate for systems with power-law distributions.     

Heat conduction in a one-dimensional gas of elastically colliding particles of unequal masses

We study the nonequilibrium state of heat conduction in a one-dimensional system of hard point particles of unequal masses interacting through elastic collisions. A BBGKY-type formulation is presented and some exact results are obtained from it. Extensive numerical simulations for the two-mass problem indicate that, even for arbitrarily small mass differences, a nontrivial steady state is obtained. This state exhibits local thermal equilibrium and has a temperature profile as predicted by kinetic theory. The temperature jumps typically seen in such studies are shown to be finite-size effects. The thermal conductivity appears to have a very slow divergence with system size, different from that seen in most other systems.     

Fokker-Planck equation approach to fluctuations about nonequilibrium steady states

We examine the properties of steady states in systems which interact at the boundary with a nonequilibrium environment. The examination is based on a nonlinear Fokker-Planck equation, the structure of which is determined by the fact that it also governs the time evolution of the equilibrium fluctuations of the system. The nonlinearities in the Fokker-Planck equation may have two origins: thermodynamic nonlinearities which arise if the thermodynamic potential is not a bilinear function of the state variables, and nonlinear mode coupling which arises if the transport coefficients depend on the state. While these nonlinearities have only a small effect on the equilibrium fluctuations of a system away from critical points, they are shown to be important for the determination of fluctuations about nonequilibrium steady states. In particular the state dependence of the transport coefficients may lead to deviations from local equilibrium and to a breakdown of detail balance. An explicit formula for the time correlations of fluctuations about the nonequilibrium steady state is obtained. The formula leads to long-range correlations in fluids in the presence of a temperature gradient. The result is compared with earlier approaches to the same problem. Finally, we study the linear response to external forces and obtain a generalization of the fluctuation-dissipation formula relating the response functions with the nonequilibrium correlation functions.     

Thermodynamics based on the principle of least abbreviated action: Entropy production in a network of coupled oscillators

We present some novel thermodynamic ideas based on the Maupertuis principle. By considering Hamiltonians written in terms of appropriate action-angle variables we show that thermal states can be characterized by the action variables and by their evolution in time when the system is nonintegrable. We propose dynamical definitions for the equilibrium temperature and entropy as well as an expression for the nonequilibrium entropy valid for isolated systems with many degrees of freedom. This entropy is shown to increase in the relaxation to equilibrium of macroscopic systems with short-range interactions, which constitutes a dynamical justification of the Second Law of Thermodynamics. Several examples are worked out to show that this formalism yields the right microcanonical (equilibrium) quantities. The relevance of this approach to nonequilibrium situations is illustrated with an application to a network of coupled oscillators (Kuramoto model). We provide an expression for the entropy production in this system finding that its positive value is directly related to dissipation at the steady state in attaining order through synchronization.     

Water polarization under thermal gradients

We investigate the response of bulk liquid water to a temperature gradient using nonequilibrium molecular dynamics simulations. It is shown that the thermal gradient polarizes water in the direction of the gradient, leading to a non-negligible electrostatic field whose origin lies in the water reorientation under nonequilibrium conditions. The dependence of the magnitude of the electrostatic field with the temperature gradient is in agreement with nonequilibrium thermodynamics theory. We conclude that temperature gradients of the order of 10(8) K/m could result in fairly large polarizations approximately 10(6) V/m.     

Coulomb drag of conduction electrons in spatially separated two-dimensional layers: An effective-parameter approximation

The Coulomb drag of electrons in spatially separated two-dimensional layers is considered under conditions of electron heating when the nonequilibrium distribution of electrons in the first layer can be described by macroparameters, such as the effective temperature. The nonequilibrium response is calculated using a projection operator that is an obvious generalization of the Mori operator to the case of nonequilibrium systems.     

Nonlocal effects in diffusive propagation of heat pulses in systems with trapping centers of nonequilibrium phonons

The propagation of heat pulses in systems with defects as trapping centers of nonequilibrium phonons is investigated theoretically. Among these defects are point defects involving two-level systems (TLSs) of different nature. It is demonstrated that, in addition to the principal signal, one more signal can be detected by the bolometer due to reemission of the nonequilibrium TLS energy at a certain ratio of relaxation times in the phonon and TLS subsystems. The temperature and concentration dependences of the time of signal arrival at the bolometer are analyzed. The results of theoretical investigations are compared with experimental data on the propagation of weakly nonequilibrium thermal phonons in solid solutions of the Y_3?x Er_xAl₅O₁₂ rare-earth yttrium aluminum garnets.     

A concept of multi-scale modeling for radiative heat transfer in particle polydispersions

To take the local thermal nonequilibrium between particles and the nonuniformity of temperature within a single particle into account, a concept of multi-scale modeling of radiative transfer is presented. Particles are considered to interact with thermal radiation on both micro-scale of a single particle and meso-scale of a particle cell to produce radiative source term at the local or meso-scale level of a particle cell for the modeling of radiative transfer at macro-scale of overall particle system. The accurate modeling of radiative transfer in particle polydispersions are related to the modeling of radiative transfer in following three different scales: macro-scale of the overall particle system, meso-scale of particle cell, and micro-scale of single particle. Two examples are taken to show the necessity of multi-scale modeling for radiative transfer in particle polydispersions. The results show that omitting local thermal nonequilibrium and nonuniformity will result in errors for the solution of radiative heat transfer to some extent, and the multi-scale modeling is necessary for the radiative transfer in particle system with large local thermal nonequilibrium and nonuniformity.     

Conformational temperature characterizing the folding of a protein

The time sequences of the molecular dynamics simulation for the folding process of a protein is analyzed with the inherent structure landscape which focuses on the configurational dynamics of the system. Time-dependent energy and entropy for inherent structures are introduced, and from these quantities a conformational temperature is defined. The conformational temperature follows the time evolution of a slow relaxation process and reaches the bath temperature when the system is equilibrated. We show that the nonequilibrium system is described by two temperatures, one for fast vibration and the other for slow configurational relaxation, while the equilibrium system is described by one temperature. The proposed formalism is applicable widely for systems with many metastable states.     

Substrate influence in electron-phonon coupling measurements in thin Au films

Accurate understanding and measurement of the energy transfer mechanisms during thermal nonequilibrium between electrons and the surrounding material systems is critical for a wide array of applications. With device dimensions decreasing to sizes on the order of the thermal penetration depth, the equilibration of the electrons could be effected by boundary effects in addition to electron-phonon coupling. In this study, the rate of electron equilibration in 20 nm thick Au films is measured with the Transient ThermoReflectance (TTR) technique. At very large incident laser fluences which result in very high electron temperatures, the electron-phonon coupling factors determined from TTR measurements deduced using traditional models are almost an order of magnitude greater than predicted from theory. By taking excess electron energy loss via electron-substrate transport into account with a proposed three temperature model, TTR electron-phonon coupling factor measurements are more in line with theory, indicating that in highly nonequilibrium situations, the high temperature electron system looses substantial energy to the substrate in addition to that transferred to the film lattice through coupling.     

Excellent thermoelectric performance in weak-coupling molecular junctions with electrode doping and electrochemical gating

Excellent thermoelectric performance in molecular junctions requires a high power factor, a low thermal conductance, and a maximum figure of merit(ZT) near the Fermi level. In the present work, we used density functional theory in combination with a nonequilibrium Green's function to investigate the thermoelectric performance of carbon chain-graphene junctions with both strong-coupling and weak-coupling contact between the electrodes and the molecules. The results revealed that a room temperature ZT of 4 could be obtained for the weak-coupling molecular junction, approximately one order of magnitude higher than that reached by the strong-coupling junction. The reason for this is that strong interfacial scattering suppresses most of the phonon modes in weak-coupling systems, resulting in ultralow phonon thermal conductance. The influence of electrode width,electrode doping, and electrochemical gating on the thermoelectric performance of the weak-coupling system was also investigated, and the results revealed that an excellent thermoelectric performance can be obtained near the Fermi level.     

Effect of phonon decay processes on the formation of a phonon nonequilibrium signal in crystals with two two-level subsystems

The effect of phonon decay on the characteristic propagation time and shape of a phonon nonequilibrium signal in disordered crystals, including crystals containing inelastic phonon scattering centers, is studied theoretically. Attention is focused on slow processes, which are typical of yttrium-aluminum garnet solid solutions and erbium-doped aluminates. It is shown that the temperature dependence of the arrival time of a phonon nonequilibrium signal in these systems can be governed, to a considerable extent, by phonon-phonon interactions. The results of the theoretical studies are compared with experimental data on the propagation of weakly nonequilibrium thermal phonons in solid solutions of rare-earth yttrium-aluminum garnets and aluminates.     

YBCO颗粒膜的非平衡微波响应与Koterlitz-Thouless相变

报道了Yba₂Cu₃O_7-δ(YBCO)颗粒膜的微波辐射(λ＝8mm)响应的特征.实验结果表明：YBCO颗粒膜的微波响应行为不能用辐射热效应来描述,而应当属于非平衡响应行为.在超导转变温度T_∞以下温区,非平衡微波响应信号电平随样品电阻R趋于零而消失,并且对弱的外磁场十分灵敏.在对样品的直流I-V特性进行了仔细测量后发现,样品的电输运行为具有准二维结构特征,可以用Kosterlitz-Thouless(K-T)相变模型加以描述.在此基础上,分析结果表明:YBCO颗粒膜中的非平衡微波响应机制可能与磁通“涡旋-反涡旋”束缚对的激发态有关. 关键词：     

Nonequilibrium quantum meson gas: Dimensional reduction

A nonequilibrium quantum gas of interacting relativistic effective mesons, ressembling qualitatively those produced in a heavy-ion collision, is described by a scalar quantum field in (1 + 3) -dimensional Minkowski space. For high temperature and large temporal and spatial scales, we justify that classical statistical mechanics including quantum renormalization effects describe approximately the gas: nonequilibrium dimensional reduction (NEDR). As a source of hints, we treat the gas at equilibrium in real-time formalism and obtain simplifications for high temperature and large spatial scales, thereby extending a useful equilibrium dimensional reduction known for the imaginary-time formalism. By assumption, the nonequilibrium initial state of the gas, not far from thermal equilibrium, includes interactions and inhomogeneities. We use nonequilibrium real-time generating functionals and correlators at nonzero temperature. In the NEDR regime, our arguments yield: 1) renormalized correlators simplify, 2) the perturbative series for those simplified correlators can be resummed into a new nonequilibrium generating functional, Z’ _{r, dr} , which is super-renormalizable and includes renormalization effects (large position-dependent thermal self-energies and effective couplings). Z’ _{r, dr} could enable to study nonperturbatively changes in the phase structures of the field, by proceeding from the nonequilibrium quantum regime to the NEDR one.