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arXiv:2309.06258 · Physical review. E

Work statistics for the adiabatic assumption in nonequilibrium many-body theory

Yi Zuo, Qinghong Yang, Bang‐Gui Liu, Dong E. Liu

Published Aug 22, 2024• 3 citations
arXivHTMLPDF

Abstract

Keldysh field theory, based on adiabatic assumptions, serves as a widely used framework for addressing nonequilibrium many-body systems. Nonetheless, the validity of such adiabatic assumption when addressing interacting Gibbs states remains a topic of contention. Interestingly, the knowledge of work statistics developed in nonequilibrium thermodynamics helps us to quantitatively explore this problem. Consequently, we deduce a universal theorem delineating the characteristics of evolutions that transition an initial Gibbs state to another. Based on this theorem, we analytically ascertain that adiabatic evolutions fail to transition a noninteracting Gibbs state to its interacting counterpart. However, the adiabatic evolution remains a superior approximation relative to its nonadiabatic counterparts. Numerics verifying our theory and predictions are also provided. Furthermore, our findings render insights into the Gibbs state preparation within the domain of quantum computation.

DOI
10.1103/physreve.110.l022105

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Keldysh field theory, based on adiabatic assumptions, serves as a widely used framework for addressing nonequilibrium many-body systems. Nonetheless, the validity of such adiabatic assumption when addressing interacting Gibbs states remains a topic of contention. Interestingly, the knowledge of work statistics developed in nonequilibrium thermodynamics helps us to quantitatively explore this problem. Consequently, we deduce a universal theorem delineating the characteristics of evolutions that transition an initial Gibbs state to another. Based on this theorem, we analytically ascertain that adiabatic evolutions fail to transition a noninteracting Gibbs state to its interacting counterpart. However, the adiabatic evolution remains a superior approximation relative to its nonadiabatic counterparts. Numerics verifying our theory and predictions are also provided. Furthermore, our findings render insights into the Gibbs state preparation within the domain of quantum computation.
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Schwinger Keldysh field theory is a widely used paradigm to study nonequilibrium dynamics of quantum many-body systems starting from a thermal state. We extend this formalism to describe nonequilibrium dynamics of quantum systems starting from arbitrary initial many-body density matrices. We show how this can be done for both bosons and fermions, and for both closed and open quantum systems, using additional sources coupled to bilinears of the fields at the initial time, calculating Green's functions in a theory with these sources, and then taking appropriate set of derivatives of these Green's functions with respect to initial sources to obtain physical observables. The set of derivatives depends on the initial density matrix. The physical correlators in a dynamics with arbitrary initial conditions do not satisfy Wick's theorem, even for noninteracting systems. However, our formalism constructs intermediate ``$n\ensuremath{-}\mathrm{particle}$ Green's functions'' that obey Wick's theorem and provide a prescription to obtain physical correlation functions from them. This allows us to obtain analytic answers for all physical many-body correlation functions of a noninteracting system even when it is initialized to an arbitrary density matrix. We use these exact expressions to obtain an estimate of the violation of Wick's theorem and relate it to presence of connected multiparticle initial correlations in the system. We illustrate this new formalism by calculating density and current profiles in many-body fermionic and bosonic open quantum systems initialized to nontrivial density matrices. We have also shown how this formalism can be extended to interacting many-body systems.
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.
Relatively small many-body quantum systems are often used as hardware for quantum devices. Most of these devices will operate below the thermal limit where thermodynamics must be treated differently to account for quantum behaviours. It is therefore imperative that the thermodynamic properties of these systems are well understood, especially as they can limit the technologies but also help the fabrication and running of efficient quantum devices. \n \nIn this thesis we study quantum work and entropy production in closed many-body quantum systems out-of-equilibrium. We find that, for the systems studied, the largest average quantum work can be extracted in adiabatic weakly correlated regimes. These regimes are also seen to minimise the entropy produced, making them efficient regimes in which to operate devices based on these systems. \n \nAdiabatic evolutions are important for many quantum devices, and so it is important that they can be accurately characterised. The validity of current methods has been questioned recently, so in this thesis we propose the use of metrics as a good quantitative measure to characterise adiabaticity. We found that the density distance (a more accessible quantity than the wavefunction and its distance measures) alone can determine adiabaticity in a range of quantum systems, even at finite temperature. \n \nHowever, when calculating properties of many-body systems, there are many challenges often resulting in the need to approximate. In this thesis we propose a new style of approximation for quantum thermodynamic properties, taking inspiration from density functional theory (DFT). This new style uses the exact initial state of the system but approximates the dynamics and is seen to be computationally cheap but largely accurate. We test this with non-interacting and DFT approximated dynamics, finding that, surprisingly, the non-interacting dynamics give the most accurate results in most regimes, with the cheapest cost.
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.
To reconstruct thermodynamics based on the microscopic laws is one of the most important unfulfilled goals of statistical physics. Here, we show that the first law and the second law for adiabatic processes are derived from an assumption that "probability distributions of energy in Gibbs states satisfy large deviation", which is widely accepted as a property of thermodynamic equilibrium states. We define an adiabatic transformation as a randomized energy-preserving unitary transformations on the many-body systems and the work storage. As the second law, we show that an adiabatic transformation from a set of Gibbs states to another set of Gibbs states is possible if and only if the regularized von Neumann entropy becomes large. As the first law, we show that the energy loss of the thermodynamic systems during the adiabatic transformation is stored in the work storage as "work," in the following meaning; (i) the energy of the work storage takes certain values macroscopically, in the initial state and the final state. (ii) the entropy of the work storage in the final state is macroscopically equal to the entropy of the initial state. As corollaries, our results give the principle of maximam work and the first law for the isothermal processes.