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arXiv:1404.1805 · Physical Review E

Macroscopically deterministic Markovian thermalization in finite quantum spin systems

Hendrik Niemeyer, Kristel F. L. Michielsen, Hans A. De Raedt, Jochen Gemmer B

Published Jan 21, 2014• 14 citations
arXivHTMLPDF

Abstract

A key feature of nonequilibrium thermodynamics is the Markovian, deterministic relaxation of coarse observables such as, for example, the temperature difference between two macroscopic objects which evolves independently of almost all details of the initial state. We demonstrate that the unitary dynamics for moderately sized spin-1/2 systems may yield the same type of relaxation dynamics for a given magnetization difference. This observation might contribute to the understanding of the emergence of thermodynamics within closed quantum systems.

DOI
10.1103/physreve.89.012131

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A key feature of nonequilibrium thermodynamics is the Markovian, deterministic relaxation of coarse observables such as, for example, the temperature difference between two macroscopic objects which evolves independently of almost all details of the initial state. We demonstrate that the unitary dynamics for moderately sized spin-1/2 systems may yield the same type of relaxation dynamics for a given magnetization difference. This observation might contribute to the understanding of the emergence of thermodynamics within closed quantum systems.
Closed quantum systems obey the Schrödinger equation, whereas nonequilibrium behavior of many systems is routinely described in terms of classical, Markovian stochastic processes. Evidently, there are fundamental differences between those two types of behavior. We discuss the conditions under which the unitary dynamics may be mapped onto pertinent classical stochastic processes. This is first principally addressed based on the notions of "consistency" and "Markovianity." Numerical data are presented that show that the above conditions are to good approximation fulfilled for Heisenberg-type spin models comprising 12-20 spins. The accuracy to which these conditions are met increases with system size.
We build a framework for the thermodynamics of macroscopic quantum systems. In contrast with approaches requiring access to the full density matrix, our framework relies on a coarse-grained description, based on measurement statistics of a few observables. When these observables commute, the outcomes define classical macrostates whose entropy is quantified by observational entropy, accounting for uncertainty about both the macrostate and the microstate within it. We extend this notion to non-commuting observables forming a subalgebra of the operator space, and use Jaynes' principle to define an algebra-dependent entropy interpolating between von Neumann and observational entropies. Given initial and final measurement sets, connected by internal and/or environment-induced dynamics, we derive a second law for the coarse-grained dynamics. Unlike formulations based on von Neumann entropy, our inequality captures irreversibility from both non-unitary environment-induced dynamics and internal equilibration. It takes the usual form of a positive entropy production when the system is initially at internal equilibrium, while correction terms capture nonequilibrium resources ignored by the coarse-graining. We also derive fluctuation theorems for coarse-grained thermodynamic quantities. Along a quasi-static path of measurement schemes, we identify quantum macroscopic notions of work and heat fulfilling the first and second laws, including an additional work contribution from manipulating the algebra to which the system is confined, through external constraints or quantum measurement backaction. Finally, we apply our framework to examples illustrating the impact of varying the coarse-graining scheme. Our approach unifies macroscopic and stochastic thermodynamics in a genuinely quantum framework, laying the basis for a versatile, experimentally friendly toolbox to analyze complex quantum dynamics.
Understanding the dynamics of strongly interacting disordered quantum systems is one of the most challenging problems in modern science, due to features such as the breakdown of thermalization and the emergence of glassy phases of matter.We report on the observation of anomalous relaxation dynamics in an isolated XXZ quantum spin system realized by an ultracold gas of atoms initially prepared in a superposition of two different Rydberg states.The total magnetization is found to exhibit subexponential relaxation analogous to classical glassy dynamics, but in the quantum case this relaxation originates from the buildup of nonclassical correlations.In both experiment and semiclassical simulations, we find the evolution toward a randomized state is independent of the strength of disorder up to a critical value.This hints toward a unifying description of relaxation dynamics in disordered isolated quantum systems, analogous to the generalization of statistical mechanics to out-of-equilibrium scenarios in classical spin glasses.
Exactly solvable models provide an opportunity to study different aspects of reduced quantum dynamics in detail. We consider the reduced dynamics of a single spin in finite XX and XY spin 1/2 chains. First we introduce a general expression describing the evolution of the reduced density matrix. This expression proves to be tractable when the combined closed system (i.e. open system plus environment) is integrable. Then we focus on comparing decoherence and thermalization timescales in the XX chain. We find that for a single spin these timescales are comparable, in contrast to what should be expected for a macroscopic body. This indicates that the process of quantum relaxation of a system with few accessible states can not be separated in two distinct stages - decoherence and thermalization. Finally, we turn to finite-size effects in the time evolution of a single spin in the XY chain. We observe three consecutive stages of the evolution: regular evolution, partial revivals, irregular (apparently chaotic) evolution. The duration of the regular stage is proportional to the number of spins in the chain. We observe a "quiet and cold period" in the end of the regular stage, which breaks up abruptly at some threshold time.
We explore some aspects of nonequilibrium statistical mechanics of classical and quantum systems. Two chapters are devoted to fluctuation theorems which were originally derived for classical systems. The main challenge in formulating them in quantum mechanics is the fact that fundamental quantities of interest, like work, are defined via the classical concept of a phase space trajectory. We utilize the decoherent histories conceptual framework, in which classical trajectories emerge in quantum mechanics as a result of coarse graining, and provide a first-principles analysis of the nonequilibrium work relation of Jarzynski and Crooks's fluctuation theorem for a quantum system interacting with a general environment based on the quantum Brownian motion (QBM) model. We indicate a parameter range at low temperatures where the theorems might fail in their original form. Fluctuation theorems of Jarzynski and Crooks for systems obeying classical Hamiltonian dynamics are derived under the assumption that the initial conditions are sampled from a canonical ensemble, even though the equilibrium state of an isolated system is typically associated with the microcanonical ensemble. We address this issue through an exact analysis of the classical Brownian motion model. We argue that a stronger form of ensemble equivalence than usually discussed in equilibrium statistical mechanics is required for these theorems to hold in the infinite environment limit irrespective of the ensemble used, and proceed to prove it for this model. An exact expression for the probability distribution of work is obtained for finite environments. Intuitively one expects a system to relax to an equilibrium state when brought into contact with a thermal environment. Yet it is important to have rigorous results that provide conditions for equilibration and characterize the equilibrium state. We consider the dynamics of open quantum systems using the Langevin and master equations and rigorously show that under fairly general conditions quantum systems interacting with a heat bath relax to the equilibrium state defined as the reduced thermal state of the system plus environment, even in the strong coupling regime. Our proof is valid to second-order in interaction strength for general systems and exact for the linear QBM model, for which we also show the equivalence of multi-time correlations. In the final chapter we give a sampling of our investigations into macroscopic quantum phenomena. We work out in detail a specific example of how and under what conditions the center of mass (CoM) coordinate of a macroscopic object emerges as the relevant degree of freedom. Interaction patterns are studied in terms of the couplings they induce between the CoM and relative coordinates of two macroscopic objects. We discuss the implications of these interaction patterns on macroscopic entanglement.
Thermalization is the process through which a physical system evolves toward a state of thermal equilibrium. Determining whether or not a physical system will thermalize from an initial state has been a key question in condensed matter physics. Closely related questions are determining whether observables in these systems relax to stationary values, and what those values are. Using tools from computational complexity theory, we demonstrate that given a Hamiltonian on a finite-sized system, determining whether or not it thermalizes or relaxes to a given stationary value is computationally intractable, even for a quantum computer. In particular, we show that the problem of determining whether an observable of a finite-sized quantum system relaxes to a given value is PSPACE-complete, and so no efficient algorithm for determining the value is expected to exist. Further, we show the existence of Hamiltonians for which the problem of determining whether the system thermalizes to the Gibbs expectation value is PSPACE-complete. We also show that the related problem of determining whether the system thermalizes to the microcanonical expectation value is contained in PSPACE and is PSPACE-hard under quantum polynomial time reductions. In light of recent results demonstrating undecidability of thermalization in the thermodynamic limit, our work shows that the intractability of the problem is due to inherent difficulties in many-body physics rather than particularities of infinite systems.