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arXiv:2402.06039 · The Journal of Chemical Physics

Dynamics of a strongly coupled quantum heat engine—Computing bath observables from the hierarchy of pure states

Valentin Boettcher, Richard Hartmann, Konstantin Beyer, Walter T. Strunz

Published Mar 4, 2024• 14 citations
arXivHTMLPDF

Abstract

We present a fully quantum dynamical treatment of a quantum heat engine and its baths based on the Hierarchy of Pure States (HOPS), an exact and general method for open quantum system dynamics. We show how the change of the bath energy and the interaction energy can be determined within HOPS for arbitrary coupling strength and smooth time dependence of the modulation protocol. The dynamics of all energetic contributions during the operation can be carefully examined both in its initial transient phase and, also later, in its periodic steady state. A quantum Otto engine with a qubit as an inherently nonlinear work medium is studied in a regime where the energy associated with the interaction Hamiltonian plays an important role for the global energy balance and, thus, must not be neglected when calculating its power and efficiency. We confirm that the work required to drive the coupling with the baths sensitively depends on the speed of the modulation protocol. Remarkably, departing from the conventional scheme of well-separated phases by allowing for temporal overlap, we discover that one can even gain energy from the modulation of bath interactions. We visualize these various work contributions using the analog of state change diagrams of thermodynamic cycles. We offer a concise, full presentation of HOPS with its extension to bath observables, as it serves as a universal tool for the numerically exact description of general quantum dynamical (thermodynamic) scenarios far from the weak-coupling limit.

DOI
10.1063/5.0192075

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We present a fully quantum dynamical treatment of a quantum heat engine and its baths based on the Hierarchy of Pure States (HOPS), an exact and general method for open quantum system dynamics. We show how the change of the bath energy and the interaction energy can be determined within HOPS for arbitrary coupling strength and smooth time dependence of the modulation protocol. The dynamics of all energetic contributions during the operation can be carefully examined both in its initial transient phase and, also later, in its periodic steady state. A quantum Otto engine with a qubit as an inherently nonlinear work medium is studied in a regime where the energy associated with the interaction Hamiltonian plays an important role for the global energy balance and, thus, must not be neglected when calculating its power and efficiency. We confirm that the work required to drive the coupling with the baths sensitively depends on the speed of the modulation protocol. Remarkably, departing from the conventional scheme of well-separated phases by allowing for temporal overlap, we discover that one can even gain energy from the modulation of bath interactions. We visualize these various work contributions using the analog of state change diagrams of thermodynamic cycles. We offer a concise, full presentation of HOPS with its extension to bath observables, as it serves as a universal tool for the numerically exact description of general quantum dynamical (thermodynamic) scenarios far from the weak-coupling limit.
We show that the general and numerically exact Hierarchy of Pure States method (HOPS) is very well applicable to calculate the reduced dynamics of an open quantum system. In particular, we focus on environments with a sub-Ohmic spectral density (SD) resulting in an algebraic decay of the bath correlation function (BCF). The universal applicability of HOPS, reaching from weak to strong coupling for zero and nonzero temperature, is demonstrated by solving the spin-boson model for which we find perfect agreement with other methods, each one suitable for a special regime of parameters. The challenges arising in the strong coupling regime are not only reflected in the computational effort needed for the HOPS method to converge but also in the necessity for an importance sampling mechanism, accounted for by the nonlinear variant of HOPS. In order to include nonzero-temperature effects in the strong coupling regime we found that it is highly favorable for the HOPS method to use the zero-temperature BCF and include temperature via a stochastic Hermitian contribution to the system Hamiltonian.
The quantum heat engines have drawn much attention due to miniaturization of devices recently. We study the dynamics of the quantum Otto heat engine using the driven-dissipative Schrödinger equation. Starting from different initial states, we simulate the time evolutions of the internal energy, power and heat-work conversion efficiency. The initial state impacts on these thermodynamic quantities before the Otto cycle reaches stable. In the transition period, the efficiency and power may be higher or lower than the corresponding values in the cyclostationary state. Remarkably, the efficiency could surpass the Otto limit and even the Carnot limit and the power could be much higher than the rated power. The efficiency anomaly is due to the energy in the initial state. Thus, we suggest that periodically pumping could take the similar role of a hot bath but could be manipulated flexibly. Furthermore, we propose a new quantum engine working in a single reservoir to convert the pump energy into mechanical work. This manipulative engine could potentially be applied to working in the microenvironments without a large temperature difference, such as the biological tissues in vivo. Our protocol is expected to model a new quantum engine with the advantage of applicability and controllability.
Abstract Real quantum heat engines lack the separation of time and length scales that is characteristic for classical engines. They must be understood as open quantum systems in non-equilibrium with time-controlled coupling to thermal reservoirs as integral part. Here, we present a systematic approach to describe a broad class of engines and protocols beyond conventional weak coupling treatments starting from a microscopic modeling. For the four stroke Otto engine the full dynamical range down to low temperatures is explored and the crucial role of the work associated with the coupling/de-coupling to/from reservoirs as an integral part in the energy balance is revealed. Quantum correlations turn out to be instrumental to enhance the efficiency which opens new ways for optimal control techniques.
We study finite-time quantum Otto cycles whose working medium is a harmonic oscillator undergoing a quantum Brownian motion described by the Caldeira-Leggett model when the oscillator is in contact with heat baths in isochoric processes. The time evolution of the Otto cycle is studied by analytically solving the exact Heisenberg-Langevin equations for the system variables and the interaction energy between the system and the bath. This enables us to investigate non-Markovian strong-coupling effects on the quantum Otto cycle. We obtain cyclic steady states and study the thermodynamic properties of the Otto cycle for various values of the parameters describing the heat baths and the coupling between the system and the bath. We compare our results with those obtained in the Markovian limit, where the time evolution is described by the Lindblad equation. We find that the change in the interaction energy during the isochoric process contributes to both work and heat and plays a crucial role in determining the thermodynamic behavior of the cycle. This is in contrast to the behavior of the state observables of the working medium, which show relatively small change compared to the Markovian counterparts. We find that non-Markovian effects only become significant when we consider thermodynamic fluxes such as work and heat with the system-bath interaction fully taken into account. We also compare our results with the power-efficiency trade-off relation recently proposed for the Markovian quantum Otto engine.
Algebraic methods for solving time-dependent Hamiltonians are used to investigate the performance of quantum thermal machines. We investigate the thermodynamic properties of an engine formed by two coupled qubits, performing an Otto cycle. The thermal interaction occurs with two baths at different temperatures, while work is associated with the interaction with an arbitrary time-dependent magnetic field that varies in intensity and direction. For the coupling, we consider the 1D isotropic Heisenberg model, which allows us to describe the system by means of the irreducible representation of the su(2)\mathrm{su}(2)su(2) Lie algebra within the triplet subspace. We also inspect different settings of the temperatures and frequencies of the cycle, and investigate the corresponding operation regimes. We describe how these regimes can change with the speed of the protocol. Finally, we compare the weak and strong coupling regimes, and conclude that for the weak case the efficiency is optimal and can surpass the value of the classical Otto cycle. For low temperatures of the heat baths, we show that losses due to quantum friction are reduced in the strong coupling limit.
Understanding the dynamics of dissipative quantum systems, particularly beyond the weak coupling approximation, is central to various quantum applications. While numerically exact methods provide accurate solutions, they often lack the analytical insight provided by theoretical approaches. In this study, we employ the recently developed method dubbed the effective Hamiltonian theory to understand the dynamics of system-bath configurations without resorting to a perturbative description of the system-bath coupling energy. Through a combination of mapping steps and truncation, the effective Hamiltonian theory offers both analytical insights into signatures of strong couplings in open quantum systems and a straightforward path for numerical simulations. To validate the accuracy of the method, we apply it to two canonical models: a single spin immersed in a bosonic bath and two noninteracting spins in a common bath. In both cases, we study the transient regime and the steady state limit at nonzero temperature and spanning system-bath interactions from the weak to the strong regime. By comparing the results of the effective Hamiltonian theory with numerically exact simulations, we show that although the former overlooks non-Markovian features in the transient equilibration dynamics, it correctly captures non-perturbative bath-generated couplings between otherwise non-interacting spins, as observed in their synchronization dynamics and correlations. Altogether, the effective Hamiltonian theory offers a powerful approach for understanding strong coupling dynamics and thermodynamics, capturing the signatures of such interactions in both relaxation dynamics and in the steady state limit.