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Entropy production in quantium brownian motion

Lorenzo Pucci

Published Jan 1, 2013• 0 citations
Publisher

Abstract

I investigate how to coherently define entropy production for a process of transient relaxation in the Quantum Brownian Motion model for the harmonic potential. I compare a form, called ``Poised" (P), which after non-Markovian transients corresponds to a definition of heat as the change in the system Hamiltonian of mean force, with a recent proposal by Esposito et al (ELB) based on a definition of heat as the energy change in the bath. Both expressions yield a positive-defined entropy production and coincide for vanishing coupling strength, but their difference is proved to be always positive (after non-Markovian transients disappear) and to grow as the coupling strength increases. In the classical over-damped limit the ``Poised" entropy production converges to the entropy production used in stochastic thermodynamics. We also investigate the effects of the system size, and of the ensuing Poincaré recurrences, and how the classical limit is approached. I close by discussing the strong-coupling limit, in which the ideal canonical equilibrium of the bath is violated.

DOI
10.6092/unina/fedoa/9311

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I investigate how to coherently define entropy production for a process of transient relaxation in the Quantum Brownian Motion model for the harmonic potential. I compare a form, called Poised" (P), which after non-Markovian transients corresponds to a definition of heat as the change in the system Hamiltonian of mean force, with a recent proposal by Esposito et al (ELB) based on a definition of heat as the energy change in the bath. Both expressions yield a positive-defined entropy production and coincide for vanishing coupling strength, but their difference is proved to be always positive (after non-Markovian transients disappear) and to grow as the coupling strength increases. In the classical over-damped limit the Poised" entropy production converges to the entropy production used in stochastic thermodynamics. We also investigate the effects of the system size, and of the ensuing Poincaré recurrences, and how the classical limit is approached. I close by discussing the strong-coupling limit, in which the ideal canonical equilibrium of the bath is violated.
We investigate how to coherently define entropy production for a process of transient relaxation in the quantum Brownian motion model for the harmonic potential. We compare a form, referred to as 'poised' (P), which after non-Markovian transients corresponds to a definition of heat as the change in the system Hamiltonian of mean force, with a recent proposal by Esposito et al (ELB) based on a definition of heat as the energy change in the bath. Both expressions yield a positive-definite entropy production and they coincide for vanishing coupling strength, but their difference is proved to be always positive (after non-Markovian transients disappear) and to grow as the coupling strength increases. In the classical over-damped limit the 'poised' entropy production converges to the entropy production used in stochastic thermodynamics. We also investigate the effects of the system size, and of the ensuing Poincaré recurrences, and how the classical limit is approached. We close by discussing the strong-coupling limit, in which the ideal canonical equilibrium of the bath is violated.
In this paper we analyze the entropy and entropy production of a nonisolated quantum system described within the quantum Brownian motion framework. This is a very general and paradigmatic framework for describing nonisolated quantum systems and can be used in any kind of coupling regime. We start by considering the application of von Neumann entropy to an arbitrarily damped quantum system making use of its reduced density operator. We argue that this application is formally valid and develop a path-integral method to evaluate that quantity analytically. We apply this technique to a harmonic oscillator in contact with a heat bath and obtain an exact form for its entropy. Then we study the entropy production of this system and enlighten important characteristics of its thermodynamical behavior on the pure quantum realm and also address their transition to the classical limit.
Understanding the entropy production of systems strongly coupled to thermal baths is a core problem of both quantum thermodynamics and mesoscopic physics. While many techniques exist to accurately study entropy production in such systems, they typically require a microscopic description of the baths, which can become numerically intractable to study for large systems. Alternatively an open-systems approach can be employed with all the nuances associated with various levels of approximation. Recently, the mesoscopic leads approach has emerged as a powerful method for studying such quantum systems strongly coupled to multiple thermal baths. In this method, a set of discretized lead modes, each locally damped, provide a Markovian embedding. Here we show that this method proves extremely useful to describe entropy production of a strongly coupled open quantum system. We show numerically, for both noninteracting and interacting setups, that a system coupled to a single bath exhibits a thermal fixed point at the level of the embedding. This allows us to use various results from the thermodynamics of quantum dynamical semigroups to infer the nonequilibrium thermodynamics of the strongly coupled, non-Markovian central systems. In particular, we show that the entropy production in the transient regime recovers the well-established microscopic definitions of entropy production with a correction that can be computed explicitly for both the single- and multiple-lead cases.
The Brownian motion of a quantum particle in a harmonic confining potential and coupled to harmonic quantum thermal bath is exactly solvable. Though this system presents at high temperatures a pedagogic example to explain the laws of thermodynamics, it is shown that at low enough temperatures the stationary state is non-Gibbsian due to an entanglement with the bath. In physical terms, this happens when the cloud of bath modes around the particle starts to play a nontrivial role, namely, when the bath temperature T is smaller than the coupling energy. Indeed, equilibrium thermodynamics of the total system, particle plus bath, does not imply standard equilibrium thermodynamics for the particle itself at low T. Various formulations of the second law are found to be invalid at low T. First, the Clausius inequality can be violated, because heat can be extracted from the zero point energy of the cloud of bath modes. Second, when the width of the confining potential is suddenly changed, there occurs a relaxation to equilibrium during which the entropy production is partly negative. In this process the energy put on the particle does not relax monotonically, but oscillates between particle and bath, even in the limit of strong damping. Third, for nonadiabatic changes of system parameters the rate of energy dissipation can be negative, and, out of equilibrium, cyclic processes are possible which extract work from the bath. Conditions are put forward under which perpetuum mobility of the second kind, having one or several work extraction cycles, enter the realm of condensed matter physics. Fourth, it follows that the equivalence between different formulations of the second law (e.g., those by Clausius and Thomson) can be violated at low temperatures. These effects are the consequence of quantum entanglement in the presence of the slightly off-equilibrium nature of the thermal bath, and become important when the characteristic quantum time scale variant Planck's over 2pi /k(B)T is larger than or comparable to other time scales of the system. They show that there is no general consensus between standard thermodynamics and quantum mechanics. The known agreements occur only due to the weak coupling limit, which does not pertain to low temperatures. Experimental setups for testing the effects are discussed.
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.
Thermodynamics is a phenomenological theory describing the energy conversion of work and heat. At its origins thermodynamics was developed in order to understand and improve heat engines. In conventional thermodynamics, however, only such processes are completely describable which are slow enough to keep the system of interest in an equilibrium state with its thermal environment at all times. On the contrary, all real physical processes are accompanied by non-equilibrium phenomena. These are mathematically described with the help of the irreversible entropy production, i.e. the dissipated work divided by the temperature of the bath. The second law of thermodynamics merely states that the irreversible entropy production is on average always positive. The modern trend of miniaturization, however, leads to smaller and smaller devices. On short length scales thermal noise as well as quantum fluctuations become important. Thus, usual thermodynamic quantities as work and heat acquire stochastic nature. Moreover, in the quantum regime a completely new theory had to be invented, since classical notions of work and heat are no longer valid. The present dissertation contributes to this prevailing field by the derivation of analytical expressions for the entropy production in open and closed quantum system far from thermal equilibrium. The theoretical treatment is motivated by an experimental point of view. The obtained results were derived from the reduced dynamics of the quantum mechanical system, which may be coupled to a thermal bath. To this end, it was dealt with methods and approaches of statistical physics, conventional thermodynamics, quantum information theory and the theory of open quantum systems. In this dissertation the most important physical systems are treated. First, an isolated system is considered before later on a heat bath is included. The limit of weak as well as of strong coupling are analyzed in detail. For isolated systems it turns out that a geometric approach is able to capture the thermodynamic properties, completely. To this end, the irreversible entropy production is sharply estimated from below by the angle between the real non-equilibrium state and the corresponding equilibrium one. Further, it is shown that the Heisenberg uncertainty relation for energy and time can be formulated more precisely in terms of that angle. As experimental system cold ion traps are introduced, in which the theoretical predictions can be verified. For weakly coupled systems, then, the irreversible entropy production is identified and a fluctuation theorem is derived by merely thermodynamic arguments. As experimental system we, again, propose the cold ion traps, where the heat bath can be simulated with the help of LASER light. In the limit of strong coupling a semiclassical description of the reduced quantum system is discussed. Again, an analytically exact expression for the entropy production and the corresponding fluctuation theorem is derived. A physical system, in which strong coupling to the environment can be analyzed, is given by Josephson junctions. This dissertation discusses the entropy production for isolated, weakly coupled, and overdamped quantum systems. For these physical regimes analytical relation are derived and experimental systems proposed, with which the predictions can be verified.