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arXiv:2001.08061 · Physical Review Letters

Nonequilibrium Green’s Function’s Approach to the Calculation of Work Statistics

Zhaoyu Fei, H. T. Quan

Published Jun 18, 2020• 17 citations
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Abstract

The calculation of work distributions in a quantum many-body system is of significant importance and also of formidable difficulty in the field of nonequilibrium quantum statistical mechanics. To solve this problem, inspired by the Schwinger-Keldysh formalism, we propose the contour-integral formulation for work statistics. Based on this contour integral, we show how to do the perturbation expansion of the characteristic function of work (CFW) and obtain the approximate expression of the CFW to the second order of the work parameter for an arbitrary system under a perturbative protocol. We also demonstrate the validity of fluctuation theorems by utilizing the Kubo-Martin-Schwinger condition. Finally, we use noninteracting identical particles in a forced harmonic potential as an example to demonstrate the powerfulness of our approach.

DOI
10.1103/physrevlett.124.240603

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The calculation of work distributions in a quantum many-body system is of significant importance and also of formidable difficulty in the field of nonequilibrium quantum statistical mechanics. To solve this problem, inspired by the Schwinger-Keldysh formalism, we propose the contour-integral formulation for work statistics. Based on this contour integral, we show how to do the perturbation expansion of the characteristic function of work (CFW) and obtain the approximate expression of the CFW to the second order of the work parameter for an arbitrary system under a perturbative protocol. We also demonstrate the validity of fluctuation theorems by utilizing the Kubo-Martin-Schwinger condition. Finally, we use noninteracting identical particles in a forced harmonic potential as an example to demonstrate the powerfulness of our approach.
The work fluctuation theorem (FT) is a symmetry connecting the moment generating functions (MGFs) of the work extracted in a given process and in its time-reversed counterpart. We show that, equivalently, the FT for work in isolated quantum systems can be expressed as an invariance property of a modified Keldysh contour. Modified contours can be used as starting points of perturbative and path integral approaches to quantum thermodynamics, as recently pointed out in the literature. After reviewing the derivation of the contour-based perturbation theory, we use the symmetry of the modified contour to show that the theory satisfies the FT at every order. Furthermore, we extend textbook diagrammatic techniques to the computation of work MGFs, showing that the contributions of the different Feynman diagrams can be added to obtain a general expression of the work statistics in terms of a sum of independent rescaled Poisson processes. In this context, the FT takes the form of a detailed balance condition linking every Feynman diagram with its time-reversed variant. In the second part, we study path integral approaches to the calculation of the MGF, and discuss how the arbitrariness in the choice of the contour impacts the final form of the path integral action. In particular, we show how using a symmetrized contour makes it possible to easily generalize the Keldysh rotation in the context of work statistics, a procedure paving the way to a semiclassical expansion of the work MGF. Furthermore, we use our results to discuss a generalization of the detailed balance conditions at the level of the quantum trajectories.
The equation of motion for nonequilibrium Green functions is derived within the framework of the Schwinger and Keldysh formalism of perturbation expansion. For nonequilibrium distribution Green functions, the equation of motion derived from quantum mechanics contains undefined singularities, whose explicit form depends on the specific initial or boundary condition. In the present work, the exact expression of singular terms is found in the equation of motion from the time-looped perturbation theory in which the adiabatic initial condition is implied. Unlike the usual Dyson perturbation formalism or the well known Kadanoff-Baym equation of motion, our resulting equation can be adopted directly for calculations without the graphical analysis, which depends on the specific form of the Hamiltonian. On the basis of this equation of motion, the procedure of a nonperturbative solution is outlined and potential applications are briefly discussed.
In this article, we present a concise and self-contained introduction to nonequilibrium statistical mechanics with quantum field theory by considering an ensemble of interacting identical bosons or fermions as an example. Readers are assumed to be familiar with the Matsubara formalism of equilibrium statistical mechanics such as Feynman diagrams, the proper self-energy, and Dyson's equation. The aims are threefold: (i) to explain the fundamentals of nonequilibrium quantum field theory as simple as possible on the basis of the knowledge of the equilibrium counterpart; (ii) to elucidate the hierarchy in describing nonequilibrium systems from Dyson's equation on the Keldysh contour to the Navier-Stokes equation in fluid mechanics via quantum transport equations and the Boltzmann equation; (iii) to derive an expression of nonequilibrium entropy that evolves with time. In stage (i), we introduce nonequilibrium Green's function and the self-energy uniquely on the round-trip Keldysh contour, thereby avoiding possible confusions that may arise from defining multiple Green's functions at the very beginning. We try to present the Feynman rules for the perturbation expansion as simple as possible. In particular, we focus on the self-consistent perturbation expansion with the Luttinger-Ward thermodynamic functional, i.e., Baym's Phi-derivable approximation, which has a crucial property for nonequilibrium systems of obeying various conservation laws automatically. We also show how the two-particle correlations can be calculated within the Phi-derivable approximation, i.e., an issue of how to handle the "Bogoliubov-Born-Green-Kirkwood-Yvons (BBGKY) hierarchy".
We consider a generic four-stroke quantum Otto engine consisting of two unitary and two thermalization strokes with an arbitrary many-body working medium. Using the Schwinger-Keldysh nonequilibrium Green's function formalism, we provide an analytical expression for the cumulant generating function corresponding to the joint probability distribution of nonequilibrium work and heat. The obtained result is valid up to the second order of the external driving amplitude. We then focus on the linear response limit and obtained Onsager's transport coefficients for the generic Otto cycle and show that the traditional fluctuation-dissipation relation for the total work is violated in the quantum domain, whereas for heat it is preserved. This leads to remarkable consequences in obtaining universal constraints on heat and work fluctuations for engine and refrigerator regimes of the Otto cycle and further allows us to make connections to the thermodynamic uncertainty relations. These findings are illustrated using a paradigmatic model that can be feasibly implemented in experiments.
We present a unified framework for equilibrium and nonequilibrium many-body perturbation theory. The most general nonequilibrium many-body theory valid for general initial states is based on a time-contour originally introduced by Konstantinov and Perel'. The various other well-known formalisms of Keldysh, Matsubara and the zero-temperature formalism are then derived as special cases that arise under different assumptions. We further present a single simple proof of Wick's theorem that is at the same time valid in all these flavors of many-body theory. It arises simply as a solution of the equations of the Martin-Schwinger hierarchy for the noninteracting many-particle Green's function with appropriate boundary conditions. We further discuss a generalized Wick theorem for general initial states on the Keldysh contour and derive how the formalisms based on the Keldysh and Konstantinov-Perel'-contours are related for the case of general initial states.
Work statistics characterizes important features of a nonequilibrium thermodynamic process, but the calculation of the work statistics in an arbitrary nonequilibrium process is usually a cumbersome task. In this work, we study the work statistics in quantum systems by employing Feynman's path-integral approach. We derive the analytical work distributions of two prototype quantum systems. The results are proved to be equivalent to the results obtained based on Schrödinger's formalism. We also calculate the work distributions in their classical counterparts by employing the path-integral approach. Our study demonstrates the effectiveness of the path-integral approach for the calculation of work statistics in both quantum and classical thermodynamics, and brings important insights to the understanding of the trajectory work in quantum systems.