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arXiv:1510.04352

Thermalisation of a quantum system from first principles

Grégoire Ithier, Florent Benaych-Georges

Published Oct 14, 2015• 3 citations
arXivHTMLPDF

Abstract

Why is thermalisation a universal phenomenon? How does a quantum system reach thermodynamical equilibrium? These questions are not new, dating even from the very birth of quantum theory and have been the subject of a renewed interest over the two last decades (see for instance the review in Eisert et al, Nature Physics 2015). In this work, we propose a universal model demonstrating that thermalisation of a small quantum system is an emergent property of the unitary evolution under a Schrödinger equation of a larger composite system, whose initial state can be arbitrary. We show that the origin of universality lies in the phenomenon of 'measure concentration', which provides self-averaging properties for the reduced density matrix characterizing the state of the small subsystem. Using our framework, we focus on the asymptotic state at long times and consider its stationary properties. In typical macroscopic conditions, we recover the canonical state and the Boltzmann distribution well known from statistical thermodynamics. This findings lead us to propose an alternative and more general definition of the canonical partition function which also allow us to describe non thermal stationary states.

DOI
10.48550/arxiv.1510.04352

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•Jun 29, 2015•1 citation
Why is thermalisation a universal phenomenon? How does a quantum system reach thermodynamical equilibrium? These questions are not new, dating even from the very birth of quantum theory and have been the subject of a renewed interest over the two last decades (see for instance the review in Eisert et al, Nature Physics 2015). In this work, we propose a universal model demonstrating that thermalisation of a small quantum system is an emergent property of the unitary evolution under a Schrödinger equation of a larger composite system, whose initial state can be arbitrary. We show that the origin of universality lies in the phenomenon of 'measure concentration', which provides self-averaging properties for the reduced density matrix characterizing the state of the small subsystem. Using our framework, we focus on the asymptotic state at long times and consider its stationary properties. In typical macroscopic conditions, we recover the canonical state and the Boltzmann distribution well known from statistical thermodynamics. This findings lead us to propose an alternative and more general definition of the canonical partition function which also allow us to describe non thermal stationary states.
To understand in detail the relation between unitary quantum theory that describes our world at the microscopic scale and thermodynamics, which was long believed only to apply to macroscopic objects, is one of the most interesting and long-standing problems in physics. Recently, this problem has received renewed attention, in particular from the community of quantum information theory, but also from the field of statistical mechanics, inspired from stochastic thermodynamics. These results suggest that thermodynamics is also relevant for individual quantum systems, provided that they can be brought into contact with thermal baths. In this thesis, I use recently developed tools to provide new results both on fundamental questions, but also on questions which are of practical relevance for potential miniaturized thermal machines. In terms of fundamental questions, the results in this thesis contribute to understanding how the basic laws of thermodynamics and statistical mechanics can be understood directly from unitary quantum mechanics. In particular, I discuss and answer the following questions: i) How can we quantify the third law of thermodynamics using information theoretic methods? ii) How can we quantify the "thermodynamic value" of a state-transition in quantum systems? iii) How can we axiomatically characterize the non-equilibrium free energy and relative entropy? iv) How can we justify statistical ensembles from an operational perspective, without having to introduce either some probability measures or an information theoretic entropy measure? v) How can we understand the equilibration of closed quantum systems, how long does it take and how difficult is it to avoid? In the second part of the thesis I discuss in detail how experimental restrictions, which become important at the quantum scale, influence the ultimate thermodynamic bounds for thermal machines. In particular, the results in this thesis provide thermodynamic bounds on work-extraction and efficiencies of thermal machines in situations where 1.) an experimenter only has limited field strengths available, 2.) an experimenter cannot control the interactions between particles, but external fields arbitrarily well, and 3.) situations in which a small quantum system can only be strongly coupled to heat baths. These bounds are tight and I provide explicit examples illustrating the different behaviours. Finally, I come back to a classic problem in statistical physics: The emergence of spontaneous symmetry breaking. Here, I provide general and rigorous new results that show how symmetry-breaking stationary states emerge from fluctuations in order parameters in dissipative lattice models.
If we prepare an isolated, interacting quantum system in an eigenstate and perturb a local observable at an initial time, its expectation value will relax towards a thermal expectation value, even though the time evolution of the system is deterministic. The eigenstate thermalization hypothesis (ETH) of Deutsch and Srednicki suggests that this is possible because each eigenstate of the full quantum system acts as a thermal bath to its subsystems, such that the reduced density matrices of the subsystems resemble thermal density matrices. Here, we use the observation that the eigenvalue distribution of interacting quantum systems is a Gaussian under very general circumstances, and Dyson Brownian motion random matrix theory, to derive the ETH and thereby elevate it from hypothesis to theory. Our analysis provides a derivation of statistical mechanics which neither requires the concepts of ergodicity or typicality, nor that of entropy. Thermodynamic equilibrium follows solely from the applicability of quantum mechanics to large systems and the absence of integrability.
This thesis approaches questions concerning the thermalisation of subsystems of closed quantum systems, prepared in pure states of definite energy but far from equilibrium, under exact unitary evolution. Taking motivation from experiments in the field of ultracold atoms, an extensive study of relaxation to a thermal state in the Hubbard model is presented. The study of small local subsystems in Hubbard-model lattice clusters has led to some interesting findings. Explored are the effects of interactions between fermions, the initial-state energy and the energy uncertainty in the initial state and their effects on relaxation dynamics and thermalisation. The most significant finding is that while subsystem thermalisation is seen for a large range of subsystem-bath coupling strengths, the temporal form of the relaxation varies markedly from exponential decay for weak couplings with a crossover to Gaussian behaviour with increased coupling strength. This is found to hold more generally for random couplings between the subsystem and bath and for bosons as well as fermions, thus demonstrating generality. As well as being demonstrated numerically, this behaviour is derived for a generic class of bi-partite quantum systems which may be described with the use of random matrices. A Brownian motion model is employed to show the exponential to Gaussian crossover when the subsystem-bath coupling matrix takes a banded form. This result agrees well with numerical Hubbard-model results, and yields identical results at short times to those from straight-forward perturbative methods. It is demonstrated that the non-Markovian Gaussian behaviour should also be observable in the limit of macroscopic baths.
Investigation on foundational aspects of quantum statistical mechanics recently entered a renaissance period due to novel intuitions from quantum information theory and to increasing attention on the dynamical aspects of single quantum systems. In the present contribution a simple but effective theoretical framework is introduced to clarify the connections between a purely mechanical description and the thermodynamic characterization of the equilibrium state of an isolated quantum system. A salient feature of our approach is the very transparent distinction between the statistical aspects and the dynamical aspects in the description of isolated quantum systems. Like in the classical statistical mechanics, the equilibrium distribution of any property is identified on the basis of the time evolution of the considered system. As a consequence equilibrium properties of quantum system appear to depend on the details of the initial state due to the abundance of constants of the motion in the Schrodinger dynamics. On the other hand the study of the probability distributions of some functions, such as the entropy or the equilibrium state of a subsystem, in statistical ensembles of pure states reveals the crucial role of typicality as the bridge between macroscopic thermodynamics and microscopic quantum dynamics. We shall consider two particular ensembles: the random pure state ensemble and the fixed expectation energy ensemble. The relation between the introduced ensembles, the properties of a given isolated system, and the standard quantum statistical description are discussed throughout the presentation. Finally we point out the conditions which should be satisfied by an ensemble in order to get meaningful thermodynamical characterization of an isolated quantum system.
Quantum thermalization describes how closed quantum systems can effectively reach thermal equilibrium, resolving the apparent incongruity between the reversibility of Schrödinger's equation and the second law of thermodynamics. Despite its ubiquity and conceptual significance, the precise conditions that give rise to quantum thermalization are still not well understood. After nearly a century of efforts, we have yet to find a complete mathematical proof that an effective statistical description naturally emerges the underlying quantum dynamics in generic settings. Here, we prove that quantum thermalization must occur in any qubit system with local interactions under three conditions: (i) high effective temperature, (ii) translation invariance, and (iii) no perfect resonances in the energy spectrum. Specifically, we show that a typical, low-complexity pure state drawn from any ensemble with large entropy and well-defined effective temperature becomes locally indistinguishable from a Gibbs state upon unitary evolution. In this setting, our rigorous results prove the widely anticipated notion that statistical physics should be understood as an emergent phenomenon, explicitly derived from the first principles of quantum mechanics.
Thermalization, the evolution of an interacting many-body system towards a thermal Gibbs ensemble after initialization in an arbitrary non-equilibrium state, is currently a phenomenon of great interest, both in theory and experiment. As the time evolution of a quantum system is unitary, the proposed mechanism of thermalization in quantum many-body systems corresponds to the so-called eigenstate thermalization hypothesis (ETH) and the typicality of eigenstates. Although this formally solves the contradiction of thermalizing but unitary dynamics in a closed quantum many-body system, it does neither make any statement on the dynamical process of thermalization itself nor in which way the coupling of the system to an environment can hinder or modify the relaxation dynamics. In this thesis, we address both the question whether or not a quantum system driven away from equilibrium is able to relax to a thermal state, which fulfills detailed balance, and if one can identify universal behavior in the non-equilibrium relaxation dynamics. As a first realization of driven quantum systems out of equilibrium, we investigate a system of Ising spins, interacting with the quantized radiation field in an optical cavity. For multiple cavity modes, this system forms a highly entangled and frustrated state with infinite correlation times, known as a quantum spin glass. In the presence of drive and dissipation, introduced by coupling the intra-cavity radiation field to the photon vacuum outside the cavity via lossy mirrors, the quantum glass state is modified in a universal manner. For frequencies below the photon loss rate, the dissipation takes over and the system shows the universal behavior of a dissipative spin glass, with a characteristic spectral density mathcalA(omega)simsqrtomega\\mathcal{A}(\\omega)\\sim\\sqrt{\\omega}mathcalA(omega)simsqrtomega. On the other hand, for frequencies above the loss rate, the system retains the universal behavior of a zero temperature, quantum spin glass. Remarkably, at the glass transition, the two subsystems of spins and photons thermalize to a joint effective temperature, even in the presence of photon loss. This thermalization is a consequence of the strong spin-photon interactions, which favor detailed balance in the system and detain photons from escaping the cavity. In the thermalized system, the features of the spin glass are mirrored onto the photon degrees of freedom, leading to an emergent photon glass phase. Exploiting the inherent photon loss of the cavity, we make predictions of possible measurements on the escaping photons, which contain detailed information of the state inside the cavity and allow for a precise, non-destructive measurement of the glass state. As a further set of non-equilibrium systems, we consider one-dimensional quantum fluids driven out of equilibrium, whose universal low energy theory is formed by the so-called Luttinger Liquid description, which, due to its large degree of universality, is of intense theoretical and experimental interest. A set of recent experiments in research groups in Vienna, Innsbruck and Munich have probed the non-equilibrium time-evolution of one-dimensional quantum fluids for different experimental realizations and are pushing into a time regime, where thermalization is expected. From a theoretical point of view, one-dimensional quantum fluids are particular interesting, as Luttinger Liquids are integrable and therefore, due to an infinite number of constants of motion, do not thermalize. The leading order correction to the quadratic theory is irrelevant in the sense of the renormalization group and does therefore not modify static correlation functions, however, it breaks integrability and will therefore, even if irrelevant, induce a completely different non-equilibrium dynamics as the quadratic Luttinger theory alone. In this thesis, we derive for the first time a kinetic equation for interacting Luttinger Liquids, which describes the time evolution of the excitation densities for arbitrary initial states. The resonant character of the interaction makes a straightforward derivation of the kinetic equation, using Fermi\'s golden rule, impossible and we have to develop non-perturbative techniques in the Keldysh framework. We derive a closed expression for the time evolution of the excitation densities in terms of self-energies and vertex corrections. Close to equilibrium, the kinetic equation describes the exponential decay of excitations, with a decay rate sigmaR=mboxImSigmaR\\sigma^R=\\mbox{Im}\\Sigma^RsigmaR=mboxImSigmaR, determined by the self-energy at equilibrium. However, for long times tau\\tautau, it also reveals the presence of dynamical slow modes, which are the consequence of exactly energy conserving dynamics and lead to an algebraic decay simtau−etasubD\\sim\\tau^{-\\eta\\sub{D}}simtau−etasubD with etaD=0.58\\eta_D=0.58etaD​=0.58. The presence of these dynamical slow modes is not contained in the equilibrium Matsubara formalism, while they emerge naturally in the non-equilibrium formalism developed in this thesis. In order to initialize a one-dimensional quantum fluid out of equilibrium, we consider an interaction quench in a model of interacting, dispersive fermions in Chap.~\\ref{sec:Quench}. In this scenario, the fermionic interaction is suddenly changed at time t=0t=0t=0, such that for t>0t>0t>0 the system is not in an eigenstate and therefore undergoes a non-trivial time evolution. For the quadratic theory, the stationary state in the limit trightarrowinftyt\\rightarrow\\inftytrightarrowinfty is a non-thermal, or prethermal, state, described by a generalized Gibbs ensemble (GGE). The GGE takes into account for the conservation of all integrals of motion, formed by the eigenmodes of the Hamiltonian. On the other hand, in the presence of non-linearities, the final state for trightarrowinftyt\\rightarrow\\inftytrightarrowinfty is a thermal state with a finite temperature T>0T>0T>0. . The spatio-temporal, dynamical thermalization process can be decomposed into three regimes: A prequench regime on the largest distances, which is determined by the initial state, a prethermal plateau for intermediate distances, which is determined by the metastable fixed point of the quadratic theory and a thermal region on the shortest distances. The latter spreads sub-ballistically simtalpha\\sim t^{\\alpha}simtalpha in space with 0<alpha<10<\\alpha<10<alpha<1 depending on the quench. Until complete thermalization (i.e. for times t<inftyt<\\inftyt<infty), the thermal region contains more energy than the prethermal and prequench region, which is expressed in a larger temperature Tt>TinftyT_{t}>T_{\\infty}Tt​>Tinfty​, decreasing towards its final value TinftyT_{\\infty}Tinfty​. As the system has achieved local detailed balance in the thermalized region, energy transport to the non-thermal region can only be performed by the macroscopic dynamical slow modes and the decay of the temperature Tt−Tinftysimt−etasubDT_{t}-T_{\\infty}\\sim t^{-\\eta\\sub{D}}Tt​−Tinfty​simt−etasubD again witnesses the presence of these slow modes. The very slow spreading of thermalization is consistent with recent experiments performed in Vienna, which observe a metastable, prethermal state after a quench and only observe the onset of thermalization on much larger time scales. As an immediate indication of thermalization, we determine the time evolution of the fermionic momentum distribution after a quench from non-interacting to interacting fermions. For this quench scenario, the step in the Fermi distribution at the Fermi momentum ksubFk\\sub{F}ksubF decays to zero algebraically in the absence of a non-linearity but as a stretched exponential (the exponent being proportional to the non-linearity) in the presence of a finite non-linearity. This can serve as a proof for the presence or absence of the non-linearity even on time-scales for which thermalization can not yet be observed. Finally, we consider a bosonic quantum fluid, which is driven away from equilibrium by permanent heating. The origin of the heating is atomic spontaneous emission of laser photons, which are used to create a coherent lattice potential in optical lattice experiments. This process preserves the system\'s U(1)U(1)U(1)-invariance, i.e. conserves the global particle number, and the corresponding long-wavelength description is a heated, interacting Luttinger Liquid, for which phonon modes are continuously populated with a momentum dependent rate partialtnqsimgamma∣q∣\\partial_tn_q\\sim\\gamma |q|partialt​nq​simgamma∣q∣. In the dynamics, we identify a quasi-thermal regime for large momenta, featuring an increasing time-dependent effective temperature. In this regime, due to fast phonon-phonon scattering, detailed balance has been achieved and is expressed by a time-local, increasing temperature. The thermal region emerges locally and spreads in space sub-ballistically according to xtsimt4/5x_t\\sim t^{4/5}xt​simt4/5. For larger distances, the system is described by an non-equilibrium phonon distribution nqsim∣q∣n_q\\sim |q|nq​sim∣q∣, which leads to a new, non-equilibrium behavior of large distance observables. For instance, the phonon decay rate scales universally as gammaqsim∣q∣5/3\\gamma_q\\sim |q|^{5/3}gammaq​sim∣q∣5/3, with a new non-equilibrium exponent eta=5/3\\eta=5/3eta=5/3, which differs from equilibrium. This new, universal behavior is guaranteed by the U(1)U(1)U(1) invariant dynamics of the system and is insensitive to further subleading perturbations. The non-equilibrium long-distance behavior can be determined experimentally by measuring the static and dynamic structure factor, both of which clearly indicate the exponents for phonon decay, eta=5/3\\eta=5/3eta=5/3 and for the spreading of thermalization etaT=4/5\\eta_T=4/5etaT​=4/5. Remarkably, even in the presence of this strong external drive, the interactions and their aim to achieve detailed balance are strong enough to establish a locally emerging and spatially spreading thermal region. The physical setups in this thesis do not only reveal interesting and new dynamical features in the out-of-equilibrium time evolution of interacting systems, but they also strongly underline the high degree of universality of thermalization for the classes of models studied here. May it be a system of coupled spins and photons, where the photons are pulled away from a thermal state by Markovian photon d