The fluctuation theorem, where the central quantity is the work distribution, is an important characterization of nonequilibrium thermodynamics. In this work, based on the dissipaton-equation-of-motion theory, we develop an exact method to evaluate the work distributions in quantum impurity system-bath mixing processes, in the presence of non-Markovian and strong couplings. Our results not only precisely reproduce the Jarzynski equality and Crooks relation, but also reveal rich information on large deviation. The numerical demonstrations are carried out with a spin-boson model system.
We give nonequilibrium Green's function (NEGF) perspective on thermodynamics formulations for open quantum systems strongly coupled to baths. Scattering approach implying thermodynamic consideration of a super-system (system plus baths) weakly coupled to external super-baths is compared with consideration of thermodynamics of a system strongly coupled to its baths. We analyze both approaches from the NEGF perspective and argue that the latter yields a possibility of thermodynamic formulation consistent with dynamical (quantum transport) description.
Describing open quantum systems far from equilibrium is challenging, in particular when the environment is mesoscopic, when it develops nonequilibrium features during the evolution, or when the memory effects cannot be disregarded. Here, we derive a master equation that explicitly accounts for system-bath correlations and includes, at a coarse-grained level, a dynamically evolving bath. Such a master equation applies to a wide variety of physical systems including those described by Random Matrix Theory or the Eigenstate Thermalization Hypothesis. We obtain a local detailed balance condition w…
When constructing a Wilson chain to represent a quantum impurity model, the effects of truncated bath modes are neglected. We show that their influence can be kept track of systematically by constructing an "open Wilson chain" in which each site is coupled to a separate effective bath of its own. As a first application, we use the method to cure the so-called mass-flow problem that can arise when using standard Wilson chains to treat impurity models with asymmetric bath spectral functions at finite temperature. We demonstrate this for the strongly sub-Ohmic spin-boson model at quantum critical…
We set up a mesoscopic theory for interacting Brownian particles embedded in a nonequilibrium environment, starting from the microscopic interacting many-body theory. Using nonequilibrium linear response theory, we characterize the effective dynamical interactions on the mesoscopic scale and the statistics of the nonequilibrium environmental noise, arising upon integrating out the fast degrees of freedom. As hallmarks of nonequilibrium, the breakdown of the fluctuation-dissipation and action-reaction relations for Brownian degrees of freedom are exemplified with two prototypical models for the…
A definition of nonequilibrium free energy $\mathcal{F}_{\textsc{s}}$ is proposed for dynamical Gaussian quantum open systems strongly coupled to a heat bath and a formal derivation is provided by way of the generating functional in terms of the coarse-grained effective action and the influence action. For Gaussian open quantum systems exemplified by the quantum Brownian motion model studied here, a time-varying effective temperature can be introduced in a natural way, and with it, the nonequilibrium free energy $\mathcal{F}_{\textsc{s}}$, von Neumann entropy $\mathcal{S}_{vN}$ and internal en…
For open quantum systems, the Gaussian environmental dissipative effect can be represented by statistical quasi-particles, namely, dissipatons. We exploit this fact to establish the dissipaton thermofield theory. The resulting generalized Langevin dynamics of absorptive and emissive thermofield operators are effectively noise-resolved. The system-bath entanglement theorem is then readily followed between an important class of nonequilibrium steady-state correlation functions. All these relations are validated numerically. A simple corollary is the transport current expression, which exactly re…
By means of a trial wave function, the multi-D$_1$ ansatz, extensive variational calculations with more than ten thousand parameters have been carried out to study quantum phase transitions in the ground states of a two-impurity system embedded in a common Ohmic bath of bosons. Quantum criticality in both the impurity system and the Ohmic bosonic bath is investigated with relevant transition points and critical exponents determined accurately. With the linear grid of the Ohmic spectral density, our numerical calculations produce a much better description of the ground states with lower energie…
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.
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…
We study the nonequilibrium dynamics of a periodically-driven anisotropic Kondo impurity model. The periodic time dependence is introduced for a local magnetic field which couples to the impurity spin and also for an in-plane exchange interaction. We obtain the exact results on the time evolution for arbitrary periodic time dependence at the special point in the parameter space known as the Toulouse limit. We first consider a specific case where the local magnetic field is periodically switched on and off. When the driving period is much shorter than the inverse of the Kondo temperature, an in…
We present the reduced dynamics of a bead in a Rouse chain which is submerged in a bath containing a driving agent that renders it out-of-equilibrium. We first review the generalized Langevin equation of the middle bead in an equilibrated bath. Thereafter, we introduce two driving forces. Firstly, we add a constant force that is applied to the first bead of the chain. We investigate how the generalized Langevin equation changes due to this perturbation for which the system evolves towards a new equilibrium state after some time. Secondly, we consider the case of stochastic active forces which …
We investigate theoretically a one-dimensional ideal Bose gas that is driven into a steady state far from equilibrium via the coupling to two heat baths: a global bath of temperature $T$ and a "hot needle", a bath of temperature $T_h\gg T$ with localized coupling to the system. Remarkably, this system features a crossover to finite-size Bose condensation at temperatures $T$ that are orders of magnitude larger than the equilibrium condensation temperature. This counterintuitive effect is explained by a suppression of long-wavelength excitations resulting from the competition between both baths.…
We use a Generalised Langevin Equation (GLE) scheme to study the thermal transport of low dimensional systems. In this approach, the central classical region is connected to two realistic thermal baths kept at two different temperatures [H. Ness et al., Phys. Rev. B {\bf 93}, 174303 (2016)]. We consider model Al systems, i.e. one-dimensional atomic chains connected to three-dimensional baths. The thermal transport properties are studied as a function of the chain length $N$ and the temperature difference $ΔT$ between the baths. We calculate the transport properties both in the linear response …
Continuing our work on the nature and existence of fluctuation-dissipation relations (FDR) in linear and nonlinear open quantum systems [1-3], here we consider such relations when a linear system is in a nonequilibrium steady state (NESS). With the model of two-oscillators (considered as a short harmonic chain with the two ends) each connected to a thermal bath of different temperatures we find that when the chain is fully relaxed due to interaction with the baths, the relation that connects the noise kernel and the imaginary part of the dissipation kernel of the chain in one bath does not ass…
Considering von Neumann expression for reduced density matrix as thermodynamic entropy of a system strongly coupled to baths, we use nonequilibrium Green's function (NEGF) techniques to derive bath and energy resolved expressions for entropy, entropy production, and information flows. The consideration is consistent with dynamic (quantum transport) description and expressions reduce to expected forms in limiting cases of weak coupling or steady-state. Formulation of the flows in terms of only system degrees freedom is convenient for simulation of thermodynamic characteristics of open nonequili…
We consider a probe linearly coupled to the center of mass of a nonequilibrium bath. We study the induced motion on the probe for a model where a resetting mechanism is added to an overdamped bath dynamics with quadratic potentials. The fact that each bath-particle is at random times being reset to a fixed position is known for optimizing diffusive search strategies, but here stands for the nonequilibrium aspect of the bath. In the large bath scaling limit the probe is governed by an effective Langevin equation. Depending on the value of the parameters, there appear three regimes: (i) an equil…
A Stirling engine made of a colloidal particle in contact with a nonequilibrium bath is considered and analyzed with the tools of stochastic energetics. We model the bath by non Gaussian persistent noise acting on the colloidal particle. Depending on the chosen definition of an isothermal transformation in this nonequilibrium setting, we find that either the energetics of the engine parallels that of its equilibrium counterpart or, in the simplest case, that it ends up being less efficient. Persistence, more than non Gaussian effects, are responsible for this result.
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 develop a theoretical framework to study the effective dynamics of a tracer immersed in a nonequilibrium bath consisting of active particles. By using a mean-field approximation and extending the linearized Dean equation to nonequilibrium environment, we derive a generalized Langevin equation for the tracer particle, wherein colored noise terms and a memory kernel reflect the roles of interactions between tracer and bath particles as well as activity of the bath. In particular, we obtain a self-consistent equation to calculate the long time diffusion coefficient and mobility of tracer, find…
We define a proper effective temperature for relativistic nonequilibrium steady states (NESSs). A conventional effective temperature of NESSs is defined from the ratio of the fluctuation to the dissipation. However, NESSs have relative velocities to the heat bath in general, and hence the conventional effective temperature can be frame dependent in relativistic systems. The proper effective temperature is introduced as a frame-independent (Lorentz invariant) quantity that characterizes NESSs. We find that the proper effective temperature of NESSs is higher than the proper temperature of the he…
Quantum embedding theories provide a feasible route for obtaining quantitative descriptions of correlated materials. However, a critical challenge is solving an effective impurity model of correlated orbitals embedded in an electron bath. Many advanced impurity solvers require the approximation of a bath continuum using a finite number of bath levels, producing a highly nonconvex, ill-conditioned inverse problem. To address this drawback, this study proposes an efficient fitting algorithm for matrix-valued hybridization functions based on a data-science approach, sparse modeling, and a compact…
We study nonequilibrium steady states (NESSs) in quantum spin-1/2 chains in contact with two heat baths at different temperatures. We consider the weak-coupling limit both for spin-spin coupling in the system and for system-bath coupling. This setting allows us to treat NESSs with a nonzero temperature gradient analytically. We develop a perturbation theory for this weak-coupling situation and show a simple condition for the existence of nonzero temperature gradient. This condition is independent of the integrability of the system.
Generalized kinetic and evolution equations in the approach of the nonequilibrium statistical operator
本文介绍了D. N. Zubarev被用来分析和推导广义输运和动力学方程。固体中的自由度通常可以表示为几个相互作用的子系统（电子、自旋、声子、核自旋等）。一个子系统的扰动可能产生非平衡态，然后由于粒子之间或与热浴的相互作用而松弛到平衡态。推导了弱耦合热浴体系的广义动力学方程，阐明了输运和弛豫过程的本质。结果表明，对于粒子间相互作用较小的体系，“碰撞项”具有与广义动力学方程相同的函数形式。物理相关的情况下的一般形式主义的适用性进行了研究。它表明，一些已知的广义动力学方程（如动力学方程的磁振子，Peierls方程的声子）自然出现在NSO形式主义。松弛的一个小的动态子系统与热浴被认为是导出的方程的基础上。薛定谔型方程的平均振幅描述的能量转移和阻尼的粒子在热浴和耦合动力学方程描述的动态和统计方面的运动推导和分析。导出的方程有助于理解量子现象中不可逆行为的起源。
Controlling transitions between nonequilibrium states through active bath engineering
University of Strasbourg（斯特拉斯堡大学）；Institut de Sciences et d’Ingénierie Supramoléculaires, University of Strasbourg（斯特拉斯堡大学超分子科学与工程研究所）；Laboratoire de Physique de l’ENS de Lyon, CNRS, ENS de Lyon（里昂高等师范学院物理实验室，法国国家科学研究中心）；Institut de Physique et Chimie des Matériaux de Strasbourg（斯特拉斯堡材料物理与化学研究所）；City University of Hong Kong（香港城市大学）
