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arXiv:2311.13536 · Physical review. E

Limiting flux in quantum thermodynamics

Domingos S. P. Salazar

Published Mar 19, 2024• 1 citation
arXivHTMLPDF

Abstract

In quantum systems, entropy production is typically defined as the quantum relative entropy between two states. This definition provides an upper bound for any flux (of particles, energy, entropy, etc.) of bounded observables, which proves especially useful near equilibrium. However, this bound tends to be irrelevant in general nonequilibrium situations. We propose a new upper bound for such fluxes in terms of quantum relative entropy, applicable even far from equilibrium and in the strong coupling regime. Additionally, we compare this bound with Monte Carlo simulations of random qubits with coherence, as well as with a model of two interacting nuclear spins.

DOI
10.1103/physreve.109.034124

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In quantum systems, entropy production is typically defined as the quantum relative entropy between two states. This definition provides an upper bound for any flux (of particles, energy, entropy, etc.) of bounded observables, which proves especially useful near equilibrium. However, this bound tends to be irrelevant in general nonequilibrium situations. We propose a new upper bound for such fluxes in terms of quantum relative entropy, applicable even far from equilibrium and in the strong coupling regime. Additionally, we compare this bound with Monte Carlo simulations of random qubits with coherence, as well as with a model of two interacting nuclear spins.
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In quantum thermodynamics, entropy production is usually defined in terms of the quantum relative entropy between two states. We derive a lower bound for the quantum entropy production in terms of the mean and variance of quantum observables, which we refer to as a thermodynamic uncertainty relation (TUR) for the entropy production. In the absence of coherence between the states, our result reproduces classic TURs in stochastic thermodynamics. For the derivation of the TUR, we introduce a lower bound for a quantum generalization of the χ^{2} divergence between two states and discuss its implications for stochastic and quantum thermodynamics, as well as the limiting case where it reproduces the quantum Cramér-Rao inequality.
In the framework of the recent quest for well-behaved nonlinear extensions of the traditional Schrödinger-von Neumann unitary dynamics that could provide fundamental explanations of recent experimental evidence of loss of quantum coherence at the microscopic level, a recent paper [Gheorghiu-Svirschevski 2001 Phys. Rev. A 63 054102] reproposes the nonlinear equation of motion proposed by the present author [see Beretta G P 1987 Found. Phys. 17 365 and references therein] for quantum (thermo)dynamics of a single isolated indivisible constituent system, such as a single particle, qubit, qudit, spin or atomic system, or a Bose-Einstein or Fermi-Dirac field. As already proved, such nonlinear dynamics entails a fundamental unifying microscopic proof and extension of Onsager's reciprocity and Callen's fluctuation-dissipation relations to all nonequilibrium states, close and far from thermodynamic equilibrium. In this paper we propose a brief but self-contained review of the main results already proved, including the explicit geometrical construction of the equation of motion from the steepest-entropy-ascent ansatz and its exact mathematical and conceptual equivalence with the maximal-entropy-generation variational-principle formulation presented in Gheorghiu-Svirschevski S 2001 Phys. Rev. A 63 022105. Moreover, we show how it can be extended to the case of a composite system to obtain the general form of the equation of motion, consistent with the demanding requirements of strong separability and of compatibility with general thermodynamics principles. The irreversible term in the equation of motion describes the spontaneous attraction of the state operator in the direction of steepest entropy ascent, thus implementing the maximum entropy production principle in quantum theory. The time rate at which the path of steepest entropy ascent is followed has so far been left unspecified. As a step towards the identification of such rate, here we propose a possible, well-behaved and intriguing, general closure of the dynamics, compatible with the nontrivial requirements of strong separability. Based on the time–energy Heisenberg uncertainty relation, we derive a lower bound to the internal-relaxation-time functionals that determine the rate of entropy generation. This bound entails an upper bound to the rate of entropy generation. By this extreme maximal-entropy-generation-rate ansatz, each indivisible subsystem follows the direction of steepest locally perceived entropy ascent at the highest rate compatible with the time– energy uncertainty principle.
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.
For classic systems, the thermodynamic uncertainty relation (TUR) states that the fluctuations of a current have a lower bound in terms of the entropy production. Some TURs are rooted in information theory, particularly derived from relations between observations (mean and variance) and dissimilarities, such as the Kullback-Leibler divergence, which plays the role of entropy production in stochastic thermodynamics. We generalize this idea for quantum systems, where we find a lower bound for the uncertainty of quantum observables given in terms of the quantum relative entropy. We apply the result to obtain a quantum thermodynamic uncertainty relation in terms of the quantum entropy production, valid for arbitrary dynamics and nonthermal environments.