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Quantum thermodynamics in the strong coupling regime

Newman, David

Published Oct 1, 2018• 0 citations
Publisher

Abstract

Quantum thermodynamics seeks to address the emergence of thermodynamic laws, which govern how energy is exchanged between physical systems, from a quantum mechanical description of light and matter. As such, the workhorse model for an underlying description of such energy exchange processes is the open quantum system: a quantum system which may interact with an external environment. Open quantum systems are well-understood in regimes where the interaction between the system and the environment is weak enough that perturbative methods may be employed to arrive at dynamical equations of motion for the evolution of the system. How to tackle the strong coupling regime is an open question and much research is still being devoted in this area. In this project we employ a technique developed for studying an open quantum system in regimes of strong reservoir coupling in problems in thermodynamics which have so far been restricted to the weak coupling regime. We spend some time developing our strong coupling framework and then use it to analyse a quantum heat engine to find that strong coupling leads to a particular set of operational costs which are not present in more well-understood weak coupling versions. We also identify effects purely quantum in nature, present in the engine cycle only at strong coupling, which lead to a degradation in the engine's performance. Finally we address the issue of quantum coherence more generally in archetypal open quantum system models beyond weak coupling, and identify a thermodynamic cost to its erasure.

DOI
10.25560/78627

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Quantum thermodynamics seeks to address the emergence of thermodynamic laws, which govern how energy is exchanged between physical systems, from a quantum mechanical description of light and matter. As such, the workhorse model for an underlying description of such energy exchange processes is the open quantum system: a quantum system which may interact with an external environment. Open quantum systems are well-understood in regimes where the interaction between the system and the environment is weak enough that perturbative methods may be employed to arrive at dynamical equations of motion for the evolution of the system. How to tackle the strong coupling regime is an open question and much research is still being devoted in this area. In this project we employ a technique developed for studying an open quantum system in regimes of strong reservoir coupling in problems in thermodynamics which have so far been restricted to the weak coupling regime. We spend some time developing our strong coupling framework and then use it to analyse a quantum heat engine to find that strong coupling leads to a particular set of operational costs which are not present in more well-understood weak coupling versions. We also identify effects purely quantum in nature, present in the engine cycle only at strong coupling, which lead to a degradation in the engine's performance. Finally we address the issue of quantum coherence more generally in archetypal open quantum system models beyond weak coupling, and identify a thermodynamic cost to its erasure.
We study a quantum heat engine at strong coupling between the system and the thermal reservoirs. Exploiting a collective coordinate mapping, we incorporate system-reservoir correlations into a consistent thermodynamic analysis, thus circumventing the usual restriction to weak coupling and vanishing correlations. We apply our formalism to the example of a quantum Otto cycle, demonstrating that the performance of the engine is diminished in the strong coupling regime with respect to its weakly coupled counterpart, producing a reduced net work output and operating at a lower energy conversion efficiency. We identify costs imposed by sudden decoupling of the system and reservoirs around the cycle as being primarily responsible for the diminished performance, and we define an alternative operational procedure which can partially recover the work output and efficiency. More generally, the collective coordinate mapping holds considerable promise for wider studies of thermodynamic systems beyond weak reservoir coupling.
Identifying or constructing a fine-grained microscopic theory that will emerge under specific conditions to a known macroscopic theory is always a formidable challenge. Thermodynamics is perhaps one of the most powerful theories and best understood examples of emergence in physical sciences, which can be used for understanding the characteristics and mechanisms of emergent processes, both in terms of emergent structures and the emergent laws governing the effective or collective variables. Viewing quantum mechanics as an emergent theory requires a better understanding of all this. In this work we aim at a very modest goal, not quantum mechanics as thermodynamics, not yet, but the thermodynamics of quantum systems, or quantum thermodynamics. We will show why even with this minimal demand, there are many new issues which need be addressed and new rules formulated. The thermodynamics of small quantum many-body systems strongly coupled to a heat bath at low temperatures with non-Markovian behavior contains elements, such as quantum coherence, correlations, entanglement and fluctuations, that are not well recognized in traditional thermodynamics, built on large systems vanishingly weakly coupled to a non-dynamical reservoir. For quantum thermodynamics at strong coupling, one needs to reexamine the meaning of the thermodynamic functions, the viability of the thermodynamic relations and the validity of the thermodynamic laws anew. After a brief motivation, this paper starts with a short overview of the quantum formulation based on Gelin & Thoss and Seifert. We then provide a quantum formulation of Jarzynski's two representations. We show how to construct the operator thermodynamic potentials, the expectation values of which provide the familiar thermodynamic variables. Constructing the operator thermodynamic functions and verifying or modifying their relations is a necessary first step in the establishment of a viable thermodynamics theory for quantum systems. We mention noteworthy subtleties for quantum thermodynamics at strong coupling, such as in issues related to energy and entropy, and possible ambiguities of their operator forms. We end by indicating some fruitful pathways for further developments.
Explaining the influence of strong coupling in the dynamics of open quantum systems is one of the most challenging issues in the rapidly growing field of quantum thermodynamics. By using a particular definition of heat, we develop an approach to study the thermodynamics in the strong-coupling regime, which takes into account quantum resources such as coherence and entanglement. We apply the method to calculate the time-dependent thermodynamic properties of a system and an environment interacting via the generalized amplitude-damping channel. The results indicate that the transient imbalance between heat dissipated and heat absorbed that occurs in the process is responsible for the generation of system-environment entanglement.
By solving the exact master equation of open quantum systems, we formulate the quantum thermodynamics from weak to strong couplings. The open quantum systems exchange matters, energies, and information with their reservoirs through quantum particle tunnelings that are described by the generalized Fano-Anderson Hamiltonians. We find that the exact solution of the reduced density matrix of these systems approaches a Gibbs-type state in the steady-state limit for the systems in arbitrary initial states as well as for both the weak and strong system-reservoir coupling strengths. When the couplings become strong, thermodynamic quantities of the system must be renormalized. The renormalization effects are obtained nonperturbatively after exactly tracing over all reservoir states through the coherent state path integrals. The renormalized system Hamiltonian is characterized by the renormalized system energy levels and interactions, corresponding to the quantum work done by the system. The renormalized temperature is introduced to characterize the entropy production counting the heat transfer between the system and the reservoir. We further find that only with the renormalized system Hamiltonian and other renormalized thermodynamic quantities can the exact steady state of the system be expressed as the standard Gibbs state. Consequently, the corresponding exact steady-state particle occupations in the renormalized system energy levels obey the Bose-Einstein and the Fermi-Dirac distributions for bosonic and fermionic systems, respectively. In the very weak system-reservoir coupling limit, the renormalized system Hamiltonian and the renormalized temperature are reduced to the original bare Hamiltonian of the system and the initial temperature of the reservoir. Thus, the conventional statistical mechanics and thermodynamics are thereby rigorously deduced from quantum dynamical evolution. In the last, this nonperturbative renormalization method is also extended to general interacting open quantum systems.
During the last decades, there have been many theoretical and experimental advances both in the extension of thermodynamics to comprise microscopic systems out-of-equilibrium and in the understanding of quantum mechanics.Along with the state-of-the-art capability of controlling fragile quantum systems in a wide variety of physical platforms, this context has paved the way for the current strategic efforts to develop a thermodynamic theory of quantum systems.In this sense, the research field coined as quantum thermodynamics (QT) already plays a key role in the design and development of future quantum-based technologies.More specifically, QT aims both to apply the usual thermodynamic concepts and notions to describe arbitrary non-equilibrium quantum systems and to understand the emergence of classical thermodynamic behaviour from the underlying fundamentally quantum dynamics.However, despite all current progress, there is still no consolidated formalism for a general thermodynamic description of fully autonomous quantum objects.Besides, the lack of consensus on some central aspects, such as the definitions of quantum counterparts of thermodynamic quantities, is particularly notorious.In this thesis, we focus on the energetic analysis within autonomous quantum systems.To this aim, we propose a novel and general formalism for a dynamic description of the energy exchanges between interacting subsystems.From the Schmidt decomposition approach, we identify effective Hamiltonians as the representative operators for characterizing the local internal energies, whose expectation values satisfy the usual thermodynamic notion of energy additivity.In contrast to the currently used methodologies, such procedure treats the subsystems with equal footing and do not rely on any sort of approximations and additional hypotheses, e.g., semi-classical description, weak-coupling regime, strict energy conservation and Markovian dynamics.In short, our proposal contributes to the development of QT by providing a new formalism that does not suffer from the usual restrictive shortcomings and establishes a new and exact route for defining other general thermodynamic quantities to the quantum regime.
A central open question in quantum thermodynamics is the identification of thermodynamic entropy away from equilibrium. Although thermodynamic entropy coincides with the von Neumann entropy for a Gibbs state at equilibrium, the thermodynamic role of quantum coherence generated during nonequilibrium evolution remains unclear. Here, we show that von Neumann entropy does not, in general, represent the thermodynamic entropy governing heat exchange in coherent nonequilibrium quantum systems. By integrating the resource theory of quantum coherence with thermodynamic principles, we develop a general framework for nonequilibrium quantum thermodynamics. We identify thermodynamic entropy with the energy entropy derived from energy-measurement statistics and introduce a dynamical temperature extending the equilibrium concept to nonequilibrium states. Consequently, we obtain an exact entropy-balance relation separating the entropy flux associated with heat exchange from the coherence-loss contribution to entropy production, establishing an operational connection between quantum coherence, heat flow, and total entropy change. Unlike approaches relying on equilibrium reference states or stationary Gibbs ensembles, our framework uses instantaneous dynamical quantities and remains valid throughout transient nonequilibrium evolution. It provides consistent dynamical definitions of temperature, work, heat, and free energy. Applying the formalism to an exactly solvable open quantum system, we show that the first and second laws hold throughout transient evolution and that equilibrium thermodynamics emerges dynamically in the weak-coupling long-time limit. Our results establish a unified framework for coherent nonequilibrium quantum thermodynamics and suggest opportunities for controlling heat dissipation through coherence engineering in quantum thermal technologies.