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Computational Issues of Quantum Heat Engines with Non-Harmonic Working Medium

Andrea Roberto Insinga, Bjarne Andresen, Peter Salamon

Published Apr 25, 2024• 0 citations
Publisher

Abstract

In this work, we lay the foundations for computing the behavior of a quantum heat engine whose working medium consists of an ensemble of non-harmonic quantum oscillators. In order to enable this analysis, we develop a method based on the Schrödinger picture. We investigate different possible choices on the basis of expanding the density operator, as it is crucial to select a basis that will expedite the numerical integration of the time-evolution equation without compromising the accuracy of the computed results. For this purpose, we developed an estimation technique that allows us to quantify the error that is unavoidably introduced when time-evolving the density matrix expansion over a finite-dimensional basis. Using this and other ways of evaluating a specific choice of basis, we arrive at the conclusion that the basis of eigenstates of a harmonic Hamiltonian leads to the best computational performance. Additionally, we present a method to quantify and reduce the error that is introduced when extracting relevant physical information about the ensemble of oscillators. The techniques presented here are specific to quantum heat cycles; the coexistence within a cycle of time-dependent Hamiltonian and coupling with a thermal reservoir are particularly complex to handle for the non-harmonic case. The present investigation is paving the way for numerical analysis of non-harmonic quantum heat machines.

DOI
10.3390/e26050359

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•Dec 20, 2018•2 citations
In this work, we lay the foundations for computing the behavior of a quantum heat engine whose working medium consists of an ensemble of non-harmonic quantum oscillators. In order to enable this analysis, we develop a method based on the Schrödinger picture. We investigate different possible choices on the basis of expanding the density operator, as it is crucial to select a basis that will expedite the numerical integration of the time-evolution equation without compromising the accuracy of the computed results. For this purpose, we developed an estimation technique that allows us to quantify the error that is unavoidably introduced when time-evolving the density matrix expansion over a finite-dimensional basis. Using this and other ways of evaluating a specific choice of basis, we arrive at the conclusion that the basis of eigenstates of a harmonic Hamiltonian leads to the best computational performance. Additionally, we present a method to quantify and reduce the error that is introduced when extracting relevant physical information about the ensemble of oscillators. The techniques presented here are specific to quantum heat cycles; the coexistence within a cycle of time-dependent Hamiltonian and coupling with a thermal reservoir are particularly complex to handle for the non-harmonic case. The present investigation is paving the way for numerical analysis of non-harmonic quantum heat machines.
Many models of heat engines have been studied with the tools of finite-time thermodynamics and an ensemble of independent quantum systems as the working fluid. Because of their convenient analytical properties, harmonic oscillators are the most frequently used example of a quantum system. We analyze different thermodynamical aspects with the final aim of the optimization of the performance of the engine in terms of the mechanical power provided during a finite-time Otto cycle. The heat exchange mechanism between the working fluid and the thermal reservoirs is provided by the Lindblad formalism. We describe an analytical method to find the limit cycle and give conditions for a stable limit cycle to exist. We explore the power production landscape as the duration of the four branches of the cycle are varied for short times, intermediate times, and special frictionless times. For short times we find a periodic structure with atolls of purely dissipative operation surrounding islands of divergent behavior where, rather than tending to a limit cycle, the working fluid accumulates more and more energy. For frictionless times the periodic structure is gone and we come very close to the global optimal operation. The global optimum is found and interestingly comes with a particular value of the cycle time.
We introduce a technique for calculating the density operator time evolution along the lines of Heisenberg representation of quantum mechanics. Using this technique, we find the exact solution for the evolution of two and three coupled harmonic oscillators initially prepared in thermal states at different temperatures. We show that such systems exhibit interesting quantum dynamics in which oscillators swap their thermal states due to correlation induced in the process of energy exchange and yield noise-induced coherence. A photonic quantum heat engine (QHE) composed of two optical cavities can be modeled as coupled harmonic oscillators with time-dependent frequencies. Photons in the cavities become correlated during the engine operation. We show that the work done by such an engine is maximum if at the end of the cycle the oscillators swap numbers of excitations which can be achieved when the engine operates under the condition of parametric resonance. We also show that Carnot formula yields limiting efficiency for QHEs under general assumptions. Moreover, we show that, by making a canonical transformation, density operator of arbitrary n-mode Gaussian state can be written as a product of n thermal density operators describing independent collective excitations with different temperatures. Thus, operation of QHEs based on the correlated Gaussian states is equivalent to that based on uncorrelated thermal reservoirs. Our results deepen understanding of quantum evolution of mixed states which could be useful to design quantum machines with better performance.
We discuss whether, and under which conditions, it is possible to realize a heat engine simply by dynamically modulating the couplings between the quantum working medium and thermal reservoirs. For that purpose, we consider the paradigmatic model of a quantum harmonic oscillator, exposed to a minimal modulation, that is, a monochromatic driving of the coupling to only one of the thermal baths. We demonstrate, at any order in the system/bath coupling strength, that in this setup non-Markovianity of the bath is a necessary condition to obtain a heat engine. In addition, we identify suitable structured environments for the engine to approach the ideal Carnot efficiency. Our results open up new possibilities for the use of non-Markovian open quantum systems for the construction and optimization of quantum thermal machines.
The unavoidable irreversible loss of power in a heat engine is found to be of quantum origin. Following thermodynamic tradition, a model quantum heat engine operating in an Otto cycle is analysed, where the working medium is composed of an ensemble of harmonic oscillators and changes in volume correspond to changes in the curvature of the potential well. Equations of motion for quantum observables are derived for the complete cycle of operation. These observables are sufficient to determine the state of the system and with it all thermodynamical variables. Once the external controls are set, the engine settles to a limit cycle. Conditions for optimal work, power and entropy production are derived. At high temperatures and quasistatic operating conditions, the efficiency at maximum power coincides with the endoreversible result . The optimal compression ratio varies from in the quasistatic limit where the irreversibility is dominated by heat conductance to in the sudden limit when the irreversibility is dominated by friction. When the engine deviates from adiabatic conditions, the performance is subject to friction. The origin of this friction can be traced to the noncommutability of the kinetic and potential energy of the working medium.
Conventional heat engines convert thermal energy into mechanical work by using a working medium such as steam or gas that operates between a hot and a cold reservoir. The medium absorbs heat from the hot reservoir, produces work, then releases some heat to the cold reservoir and returns to the initial state. With the advancement of quantum technologies, researchers strive to understand whether quantum media, such as atoms, spins, superconducting circuits and semiconductor quantum dots, can be used in quantum counterparts of the classical heat engines. After a recap of the basics of classical heat engines, this review explores the theoretical foundations and advancements of quantum heat engines, focusing on the proposed two- and multilevel systems used as the working medium for the quantum Otto cycle, which is the ideal thermodynamic cycle that describes the operation of a spark-ignition internal combustion engine. The review compares the efficiency and the work extraction of these systems, discussing their performance in the high- and low-temperature limits. Alternative cycles and engines are also presented to establish the adaptability of the working media when operating under different processes and non-equilibrium conditions. In conclusion, the review offers possible applications and future developments of quantum heat engines.
The working substance fueling a quantum heat engine may contain prominent quantum properties such as coherence and nonclassical correlations. In particular, coherence has been somewhat related to quantum friction, whose origin has been mostly associated with the noncommutativity of a driven Hamiltonian at different times. Here, we consider a quantum Otto heat engine operated at finite time and undergoing incomplete thermalization with a heat source. We introduce analytical expressions relating the engine efficiency and extractable power to the coherence measured in the energy basis of the working substance during the engine cycle. We show that coherence, which has been related to an increase in entropy production and irreversibility, can in also be employed to improve the quantum engine performance, mitigating quantum friction. Such an improvement may be achieved by carefully tuning cycle parameters. To illustrate this coherent improvement we performed a numerical analysis in an experimentally feasible example.