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arXiv:1808.08176 · Physical review. B./Physical review. B

Universal approach to quantum thermodynamics in the strong coupling regime

Wenjie Dou, Maicol A. Ochoa, Abraham Nitzan, Joseph Eli Subotnik

Published Oct 15, 2018• 60 citations
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Abstract

We present a protocol for the study of the dynamics and thermodynamics of quantum systems strongly coupled to a bath and subject to an external modulation. Our protocol quantifies the evolution of the system-bath composite by expanding the full density matrix as a series in the powers of the modulation rate, from which the functional form of work, heat, and entropy rates can be obtained. Under slow driving, thermodynamic laws are established. The entropy production rate is positive and is found to be related to the excess work dissipated by friction, at least up to second order in the driving speed. As an example of the present methodology, we reproduce the results for the quantum thermodynamics of the driven resonance level model. We also emphasize that our formalism is quite general and allows for electron-electron interactions, which can give rise to exotic Kondo resonances appearing in thermodynamic quantities.

DOI
10.1103/physrevb.98.134306

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We present a protocol for the study of the dynamics and thermodynamics of quantum systems strongly coupled to a bath and subject to an external modulation. Our protocol quantifies the evolution of the system-bath composite by expanding the full density matrix as a series in the powers of the modulation rate, from which the functional form of work, heat, and entropy rates can be obtained. Under slow driving, thermodynamic laws are established. The entropy production rate is positive and is found to be related to the excess work dissipated by friction, at least up to second order in the driving speed. As an example of the present methodology, we reproduce the results for the quantum thermodynamics of the driven resonance level model. We also emphasize that our formalism is quite general and allows for electron-electron interactions, which can give rise to exotic Kondo resonances appearing in thermodynamic quantities.
We present an approach based on a density matrix expansion to study thermodynamic properties of a quantum system strongly coupled to two or more baths. For slow external driving of the system, we identify the adiabatic and nonadiabatic contributions to thermodynamic quantities, and we show how the first and second laws of thermodynamics are manifested in the strong coupling regime. Particularly, we show that the entropy production is positive up to second order in the driving speed. The formulation can be applied both for bosonic and fermionic systems, and recovers previous results for the equilibrium case [Phys. Rev. B 98, 134306 (2018)]. The approach is then demonstrated for the driven resonant level model as well as the driven Anderson impurity model, where the hierarchical quantum master equation method is used to accurately simulate the nonequilibrium quantum dynamics.
We investigate two prototypical dissipative bosonic systems under slow driving and arbitrary system-bath coupling strength, recovering their dynamic evolution as well as the heat and work rates, and we verify that thermodynamic laws are respected. Specifically, we look at the damped harmonic oscillator and the damped two-level system. For the former, we study independently the slow time-dependent perturbation in the oscillator frequency and in the coupling strength. For the latter, we concentrate on the slow modulation of the energy gap between the two levels. Importantly, we are able to find the entropy production rates for each case without explicitly defining nonequilibrium extensions for the entropy functional. This analysis also permits the definition of phenomenological friction coefficients in terms of structural properties of the system-bath composite.
We present a consistent thermodynamic theory for the resonant level model in the wide-band limit, whose level energy is driven slowly by an external force. The problem of defining ``system'' and ``bath'' in the strong-coupling regime is circumvented by considering as the system everything that is influenced by the externally driven level. The thermodynamic functions that are obtained to first order beyond the quasistatic limit fulfill the first and second law with a positive entropy production, successfully connect to the forces experienced by the external driving, and reproduce the correct weak-coupling limit of stochastic thermodynamics.
We study nonequilibrium thermodynamics in a fermionic resonant-level model with arbitrary coupling strength to a fermionic bath, taking the wide-band limit. In contrast to previous theories, we consider a system where both the level energy and the coupling strength depend explicitly on time. We find that, even in this generalized model, consistent thermodynamic laws can be obtained, up to the second order in the drive speed, by splitting the coupling energy symmetrically between system and bath. We define observables for the system energy, work, heat, and entropy, and calculate them using nonequilibrium Green's functions. We find that the observables fulfill the laws of thermodynamics, and connect smoothly to the known equilibrium results.
The thermodynamics of quantum systems coupled to periodically modulated heat baths and work reservoirs is developed. By identifying affinities and fluxes, the first and the second law are formulated consistently. In the linear response regime, entropy production becomes a quadratic form in the affinities. Specializing to Lindblad dynamics, we identify the corresponding kinetic coefficients in terms of correlation functions of the unperturbed dynamics. Reciprocity relations follow from symmetries with respect to time reversal. The kinetic coefficients can be split into a classical and a quantum contribution subject to an additional constraint, which follows from a natural detailed balance condition. This constraint implies universal bounds on efficiency and power of quantum heat engines. In particular, we show that Carnot efficiency cannot be reached whenever quantum coherence effects are present, i.e., when the Hamiltonian used for work extraction does not commute with the bare system Hamiltonian. For illustration, we specialize our universal results to a driven two-level system in contact with a heat bath of sinusoidally modulated temperature.
Abstract The treatment of quantum thermodynamic systems beyond weak coupling is of increasing relevance, yet extremely challenging. The evaluation of thermodynamic quantities in strong-coupling regimes requires a nonperturbative knowledge of the bath dynamics, which in turn relies on heavy numerical simulations. To tame these difficulties, considering thermal bosonic baths linearly coupled to the open system, we derive expressions for heat, work, and average system-bath interaction energy that only involve the autocorrelation function of the bath and two-time expectation values of system operators. We then exploit the pseudomode approach, which replaces the physical continuous bosonic bath with a small finite number of damped, possibly interacting, modes, to numerically evaluate these relevant thermodynamic quantities. We show in particular that this method allows for an efficient numerical evaluation of thermodynamic quantities in terms of one-time expectation values of the open system and the pseudomodes. We apply this framework to the investigation of two paradigmatic situations. In the first instance, we study the entropy production for a two-level system (TLS) coupled to an ohmic bath, simulated via interacting pseudomodes, allowing for the presence of time-dependent driving. Secondly, we consider a quantum thermal machine composed of a TLS interacting with two thermal baths at different temperatures, showing that an appropriate sinusoidal modulation of the coupling with the cold bath only is enough to obtain work extraction.