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arXiv:1412.7029 · New Journal of Physics

On the von Neumann entropy of a bath linearly coupled to a driven quantum system

Erik M. Aurell, Ralf Eichhorn

Published Jun 8, 2015• 20 citations
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Abstract

The change of the von Neumann entropy of a set of harmonic oscillators initially in thermal equilibrium and interacting linearly with an externally driven quantum system is computed by adapting the Feynman–Vernon influence functional formalism. This quantum entropy production has the form of the expectation value of three functionals of the forward and backward paths describing the system history in the Feynman–Vernon theory. In the classical limit of Kramers–Langevin dynamics (Caldeira–Leggett model) these functionals combine to three terms, where the first is the entropy production functional of stochastic thermodynamics, the classical work done by the system on the environment in units of k B T, and the second and the third other functionals which have no analogue in stochastic thermodynamics.

DOI
10.1088/1367-2630/17/6/065007

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The change of the von Neumann entropy of a set of harmonic oscillators initially in thermal equilibrium and interacting linearly with an externally driven quantum system is computed by adapting the Feynman–Vernon influence functional formalism. This quantum entropy production has the form of the expectation value of three functionals of the forward and backward paths describing the system history in the Feynman–Vernon theory. In the classical limit of Kramers–Langevin dynamics (Caldeira–Leggett model) these functionals combine to three terms, where the first is the entropy production functional of stochastic thermodynamics, the classical work done by the system on the environment in units of k B T, and the second and the third other functionals which have no analogue in stochastic thermodynamics.
This paper revisits the classical problem of representing a thermal bath interacting with a system as a large collection of harmonic oscillators initially in thermal equilibrium. As is well known, the system then obeys an equation, which in the bulk and in the suitable limit tends to the Kramers–Langevin equation of physical kinetics. I consider time-dependent system-bath coupling and show that this leads to an additional harmonic force acting on the system. When the coupling is switched on and switched off rapidly, the force has delta-function support at the initial and final time. I further show that the work and heat functionals as recently defined in stochastic thermodynamics at strong coupling contain additional terms depending on the time derivative of the system-bath coupling. I discuss these terms and show that while they can be very large if the system-bath coupling changes quickly, they only give a finite contribution to the work that enters in Jarzynski’s equality. I also discuss that these corrections to standard work and heat functionals provide an explanation for non-standard terms in the change of the von Neumann entropy of a quantum bath interacting with a quantum system found in an earlier contribution (Aurell and Eichhorn, 2015).
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.
The effective dynamics of a system interacting with a bath or environment is presented in two ways, (1) the (LGKS) replacement of the von Neuman equation for the density matrix and (2) the Feynman-Vernon path-integral derivation, by integrating out the bath degree of freedom, to arrive at a system's density matrix. In this paper, I connect the two methods by deriving a Lindbladian in a mechanical example, a point particle interacting with a bath of harmonic oscillators, previously considered by Feynman and Vernon (FV) and expounded on later by Caldeira and Leggett (CL). But the (FV)/(CL) results only in non-Markov effect, memory terms from the bath interaction. To derive a Lindbladian, I changed the interaction term they considered to take into account the point particle interacting with the bath harmonic oscillators to something more realistic. From the resulting path-integral expression of the system's propagator for the density matrix, the Lindbladian and non-Markov terms are read for this simple problem. I also point out the causes of these terms, the Markov Lindbladian from the very local interaction of the point particle with the classical solutions of the harmonic oscillator and the non-Markov term from the global interaction of the point particle with the fluctuation of the classical solutions.
We present a scheme to evaluate thermodynamic variables for a system coupled to a heat bath under a time-dependent external force using the quasi-static Helmholtz energy from the numerically "exact" hierarchical equations of motion (HEOM). We computed the entropy produced by a spin system strongly coupled to a non-Markovian heat bath for various temperatures. We showed that when changes to the external perturbation occurred sufficiently slowly, the system always reached thermal equilibrium. Thus, we calculated the Boltzmann entropy and the von Neumann entropy for an isothermal process, as well as various thermodynamic variables, such as changes in internal energies, heat, and work, for a system in quasi-static equilibrium based on the HEOM. We found that although the characteristic features of the system entropies in the Boltzmann and von Neumann cases as a function of the system-bath coupling strength are similar, those for the total entropy production are completely different. The total entropy production in the Boltzmann case is always positive, whereas that in the von Neumann case becomes negative if we chose a thermal equilibrium state of the total system (an unfactorized thermal equilibrium state) as the initial state. This is because the total entropy production in the von Neumann case does not properly take into account the contribution of the entropy from the system-bath interaction. Thus, the Boltzmann entropy must be used to investigate entropy production in the fully quantum regime. Finally, we examined the applicability of the Jarzynski equality.
The thermodynamics of a quantum system interacting with an environment that can be assimilated to a harmonic oscillator bath has been extensively investigated theoretically. In recent experiments, the system under study however does not interact directly with the bath, but though a cavity or a transmission line. The influence on the system from the bath is therefore seen through an intermediate system, which modifies the characteristics of this influence. Here we first show that this problem is elegantly solved by a transform, which we call the Vernon transform, mapping influence action kernels on influence action kernels. We also show that the Vernon transform takes a particularly simple form in the Fourier domain, though it then must be interpreted with some care. Second, leveraging results in quantum thermodynamics we show how the Vernon transform can also be used to compute the generating function of energy changes in the environment. We work out the example of a system interacting with two baths of the Caldeira-Leggett type, each of them seen through a cavity.
We use a canonical quantization procedure to set up a quantum Fokker-Planck-Kramers equation that accounts for quantum dissipation in a thermal environment. The dissipation term is chosen to ensure that the thermodynamic equilibrium is described by the Gibbs state. An expression for the quantum entropy production that properly describes quantum systems in a nonequilibrium stationary state is also provided. The time-dependent solution is given for a quantum harmonic oscillator in contact with a heat bath. We also obtain the stationary solution for a system of two coupled harmonic oscillators in contact with reservoirs at distinct temperatures, from which we obtain the entropy production and the quantum thermal conductance.