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Zeitschrift für Naturforschung A

Work Statistics and Energy Transitions in Driven Quantum Systems

Michael Engbers, Mattes Heerwagen, S. Rosmej, Andreas Engel

Published Apr 8, 2020• 1 citation
Publisher

Abstract

Abstract Thermodynamic quantities of small systems fluctuate and have to be characterised by their appropriate probability distributions. Within the two-point energy measurement prescription, the distribution of work in a quantum system can be derived from the transition probability from initial to final energy. We consider a simple yet representative model system starting in thermodynamic equilibrium and driven by an external force, and compare two different numerical techniques to determine this transition probability with respect to accuracy and numerical effort. In addition, we perform a semi-classical analysis of the process using the WKB approximation. The results agree well with the numerically exact values if Airy-tails modelling the tunnelling into classically forbidden regions of phase space are properly taken into account.

DOI
10.1515/zna-2020-0017

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Abstract Thermodynamic quantities of small systems fluctuate and have to be characterised by their appropriate probability distributions. Within the two-point energy measurement prescription, the distribution of work in a quantum system can be derived from the transition probability from initial to final energy. We consider a simple yet representative model system starting in thermodynamic equilibrium and driven by an external force, and compare two different numerical techniques to determine this transition probability with respect to accuracy and numerical effort. In addition, we perform a semi-classical analysis of the process using the WKB approximation. The results agree well with the numerically exact values if Airy-tails modelling the tunnelling into classically forbidden regions of phase space are properly taken into account.
At non-zero temperature classical systems exhibit statistical fluctuations of thermodynamic quantities arising from the variation of the system's initial conditions and its interaction with the environment. The fluctuating work, for example, is characterised by the ensemble of system trajectories in phase space and, by including the probabilities for various trajectories to occur, a work distribution can be constructed. However, without phase space trajectories, the task of constructing a work probability distribution in the quantum regime has proven elusive. Here we use quantum trajectories in phase space and define fluctuating work as power integrated along the trajectories, in complete analogy to classical statistical physics. The resulting work probability distribution is valid for any quantum evolution, including cases with coherences in the energy basis. We demonstrate the quantum work probability distribution and its properties with an exactly solvable example of a driven quantum harmonic oscillator. An important feature of the work distribution is its dependence on the initial statistical mixture of pure states, which is reflected in higher moments of the work. The proposed approach introduces a fundamentally different perspective on quantum thermodynamics, allowing full thermodynamic characterisation of the dynamics of quantum systems, including the measurement process.
At nonzero temperature classical systems exhibit statistical fluctuations of thermodynamic quantities arising from the variation of the system's initial conditions and its interaction with the environment. The fluctuating work, for example, is characterized by the ensemble of system trajectories in phase space and, by including the probabilities for various trajectories to occur, a work distribution can be constructed. However, without phase-space trajectories, the task of constructing a work probability distribution in the quantum regime has proven elusive. Here we use quantum trajectories in phase space and define fluctuating work as power integrated along the trajectories, in complete analogy to classical statistical physics. The resulting work probability distribution is valid for any quantum evolution, including cases with coherences in the energy basis. We demonstrate the quantum work probability distribution and its properties with an exactly solvable example of a driven quantum harmonic oscillator. An important feature of the work distribution is its dependence on the initial statistical mixture of pure states, which is reflected in higher moments of the work. The proposed approach introduces a fundamentally different perspective on quantum thermodynamics, allowing full thermodynamic characterization of the dynamics of quantum systems, including the measurement process.
Rapid progress in the fabrication and manipulation of micro and nanoscale devices has made it necessary to extend the concepts of thermodynamics to small systems and finally to quantum systems. In such systems the extensive thermodynamic quantities, such as entropy, heat, and work, are not described by their average values alone but by distributions. \n \nRemarkably, it has been shown that the stochastic thermodynamic variables often obey fluctuation relations which usually appear in the form of relations between exponential averages. While the two-measurement protocol of thermodynamic variables, especially work, is now well studied in closed quantum systems, there have been conceptual and experimental problems in open quantum systems. \n \nIn this thesis, we theoretically study work statistics and fluctuation relations in open quantum systems. To calculate the work statistics, we use the quantum jump method and direct master equation calculations. We show that work definitions equivalent in closed systems can lead to mutually different results in the case of open quantum systems due to a different order of approximations. Moreover, we show that the fluctuation relations can be extended to nearly adiabatically driven systems by using the adiabatic renormalization procedure. \n \nLast, we focus on how a finite size of the environment affects the dynamics and work statistics of open quantum systems. This is important from the experimental point of view because a finite-size environment allows the detection of heat exchange between the system and the environment. We derive a master equation that takes into account these effects and develop a stochastic model that unravels the master equation. We explicitly show that the finite size of the environment influences the dynamics and the work statistics. We also show that the common fluctuation relations are still valid.
Thermodynamics typically concerns the physical behaviour of macroscopic systems comprised of many particles. However, recent theoretical progress has extended the theory to both the classical-stochastic and quantum regimes, where systems are comprised of just a small number of particles. In this thesis I investigate a range of situations in which new thermodynamic phenomena emerge due to the reduced size of the systems involved. One central assumption in macroscopic thermodynamics is the weak coupling approximation, which posits that the equilibrium properties of a system are not influenced by the interactions with its surrounding environment. However, for microscopic systems this assumption can break down, and I derive new fluctuation relations that provide a refined form of the second law of thermodynamics in this strong-coupling regime, taking into account corrections stemming from these interactions. In this work I provide a characterisation of stochastic heat and entropy production for small scale classical systems that are defined regardless of the strength of interaction. I then show that these definitions lead to a consistent thermodynamic framework valid beyond the usual weak-coupling regime. The thesis also concerns the effect of interactions on the equilibrium properties of strongly-coupled quantum systems, and I investigate how these interactions can influence the resulting temperature fluctuations in this regime. Using tools from quantum estimation theory, I derive an uncertainty relation between energy and temperature valid at all coupling strengths and system sizes. The relation reveals how quantum energy coherences contribute to statistical fluctuations in the estimated temperature of small- scale systems. Finally, I investigate how quantum fluctuations influence the statistics of work extracted from slowly-driven quantum systems. I prove that, unlike in classical systems, the work dissipated by a general quantum system is no longer proportional to its statistical fluctuations. This result reveals new subtleties involved in designing optimal quantum thermodynamic processes.
A central topic in the emerging field of quantum thermodynamics is the definition of thermodynamic work in the quantum regime. One widely used solution is to define work for a closed system undergoing non-equilibrium dynamics according to the two-point energy measurement scheme. However, due to the invasive nature of measurement the two-point quantum work probability distribution cannot describe the statistics of energy change from the perspective of the system alone. We here introduce the quantum histories framework as a method to characterise the thermodynamic properties of the unmeasured , closed dynamics. Constructing continuous power operator trajectories allows us to derive an alternative quantum work distribution for closed quantum dynamics that fulfils energy conservation and is time-reversal symmetric. This opens the possibility to compare the measured work with the unmeasured work, contrasting with the classical situation where measurement does not affect the work statistics. We find that the work distribution of the unmeasured dynamics leads to deviations from the classical Jarzynski equality and can have negative values highlighting distinctly non-classical features of quantum work.
The characteristic function for the joint measurement of the changes of two or more commuting observables upon an external forcing of a quantum system is derived. In particular, the statistics of the internal energy, the exchanged heat and the work of a quantum system that weakly couples to its environment are determined in terms of the energy changes of the system and the environment due to the action of a classical, external force on the system. If the system and the environment initially are in a canonical equilibrium, the work performed on the system is shown to satisfy the Tasaki–Crooks theorem and the Jarzynski equality.