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Thermodynamic quantities and fluctuation theorems in open quantum systems

Tatsuro Kawamoto

Published Jan 1, 2011• 0 citations
OpenAlex

Abstract

We study fluctuation theorems for open quantum systems using the approach of quantum master equations, and examine the thermodynamic quantities that appear in those fluctuation theorems. The approach of Markovian quantum master equations to the fluctuation theorems was developed by Esposito and Mukamel [Phys. Rev. E 73, 046129 (2006)]. We show that their discussion can be formally generalized to the case of a non-Markovian heat bath in the case where the local system is linearly connected to the Gaussian heat bath with the spectrum distribution of the Drude form. However, we found that the thermodynamic quantities that appear in those fluctuation theorems can be ill-defined or inconsistent with each other by numerically simulating the spin-boson model.

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We study fluctuation theorems for open quantum systems using the approach of quantum master equations, and examine the thermodynamic quantities that appear in those fluctuation theorems. The approach of Markovian quantum master equations to the fluctuation theorems was developed by Esposito and Mukamel [Phys. Rev. E 73, 046129 (2006)]. We show that their discussion can be formally generalized to the case of a non-Markovian heat bath in the case where the local system is linearly connected to the Gaussian heat bath with the spectrum distribution of the Drude form. However, we found that the thermodynamic quantities that appear in those fluctuation theorems can be ill-defined or inconsistent with each other by numerically simulating the spin-boson model.
We study fluctuation theorems for open quantum systems with a non-Markovian heat bath using the approach of quantum master equations and examine the physical quantities that appear in those fluctuation theorems. The approach of Markovian quantum master equations to the fluctuation theorems was developed by Esposito and Mukamel [Phys. Rev. E {\bf73}, 046129 (2006)]. We show that their discussion can be formally generalized to the case of a non-Markovian heat bath when the local system is linearly connected to a Gaussian heat bath with the spectrum distribution of the Drude form. We found by numerically simulating the spin-boson model in non-Markovian regime that the detailed balance condition is well satisfied except in a strongly non-equilibrium transient situation, and hence our generalization of the definition of the entropy production is almost always legitimate. Therefore, our generalization of the fluctuation theorem seems meaningful in wide regions.
We study fluctuation theorems for open quantum systems with a non-Markovian heat bath using the approach of quantum master equations and examine the physical quantities that appear in those fluctuation theorems. The approach of Markovian quantum master equations to the fluctuation theorems was developed by Esposito and Mukamel [Phys. Rev. E 73, 046129 (2006)]. We show that their discussion can be formally generalized to the case of a non-Markovian heat bath when the local system is linearly connected to a Gaussian heat bath with the spectrum distribution of the Drude form. We found by numerically simulating the spin-boson model in non-Markovian regime that the "detailed balance" condition is well satisfied except in a strongly nonequilibrium transient situation, and hence our generalization of the definition of the "entropy production" is almost always legitimate. Therefore, our generalization of the fluctuation theorem seems meaningful in wide regions.
Markovian quantum master equations (MQMEs) were established nearly half a century ago. They have often been used in the study of irreversible thermodynamics. However, the previous results were mainly concerned about ensemble averages; the stochastic thermodynamics of these systems went unnoticed for a very long time. This situation remained unchanged until a variety of fluctuation theorems in classical and quantum regimes were found in the past two decades. In this paper, we systematically summarize the current understanding on the stochastic heat and work in MQMEs using two distinct strategies. One strategy is to treat the system and its surrounding heat bath as a closed quantum system, to suppose that the evolution of the composite system is unitary under a time-dependent total Hamiltonian and to define the heat and work as the changes in energy by applying two energy measurements scheme to the composite system. The other strategy is to unravel these MQMEs into random quantum jump trajectories (QJTs) and to define the stochastic heat and work along the individual trajectories. Many important physical concepts, mathematical techniques, and fluctuation theorems at different descriptive levels are given in as detailed a manner as possible. We also use concrete models to illustrate these results.
We present a general quantum fluctuation theorem for the entropy production of an open quantum system coupled to multiple environments, not necessarily at equilibrium. Such a general theorem, when restricted to the weak-coupling and Markovian regime, holds for both local and global master equations, corroborating the thermodynamic consistency of local quantum master equations. The theorem is genuinely quantum, as it can be expressed in terms of conservation of a Hermitian operator, describing the dynamics of the system state operator and of the entropy change in the baths. The integral fluctuation theorem follows from the properties of such an operator. Furthermore, it is also valid when the system is described by a time-dependent Hamiltonian. As such, the quantum Jarzynski equality is a particular case of the general result presented here. Moreover, our result can be extended to nonthermal baths, as long as microreversibility is preserved. We present some numerical examples to showcase the exact results previously obtained. We finally generalize the fluctuation theorem to the case where the interaction between the system and the bath is explicitly taken into account. We show that the fluctuation theorem amounts to a relation between time-reversed dynamics of the global density matrix and a two-time correlation function along the forward dynamics involving the baths' entropy alone.
Rapid progress in the fabrication and manipulation of micro and nanoscale devices has made it necessary to extend the concepts of thermodynamics to small systems and finally to quantum systems. In such systems the extensive thermodynamic quantities, such as entropy, heat, and work, are not described by their average values alone but by distributions. \n \nRemarkably, it has been shown that the stochastic thermodynamic variables often obey fluctuation relations which usually appear in the form of relations between exponential averages. While the two-measurement protocol of thermodynamic variables, especially work, is now well studied in closed quantum systems, there have been conceptual and experimental problems in open quantum systems. \n \nIn this thesis, we theoretically study work statistics and fluctuation relations in open quantum systems. To calculate the work statistics, we use the quantum jump method and direct master equation calculations. We show that work definitions equivalent in closed systems can lead to mutually different results in the case of open quantum systems due to a different order of approximations. Moreover, we show that the fluctuation relations can be extended to nearly adiabatically driven systems by using the adiabatic renormalization procedure. \n \nLast, we focus on how a finite size of the environment affects the dynamics and work statistics of open quantum systems. This is important from the experimental point of view because a finite-size environment allows the detection of heat exchange between the system and the environment. We derive a master equation that takes into account these effects and develop a stochastic model that unravels the master equation. We explicitly show that the finite size of the environment influences the dynamics and the work statistics. We also show that the common fluctuation relations are still valid.
We present a succinct and intuitive derivation of a formally exact master equation for general open quantum systems, without the use of an "inverse" map which was invoked in previous works on formally exact master equations. This formalism is applicable to non-Markovian regimes. We derive a second-order equation of motion for the illustrative spin-boson model at arbitrary temperatures, observing non-exponential decoherence and relaxation. Limiting our generic derivation to zero temperature, we also reproduce the result for the special case of a vacuum bath in Phys. Rev. A 81, 042103 (2010).