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Physical Review E

Quantum versus classical foundation of statistical mechanics under experimentally realistic conditions

Peter Reimann, Mykhaylo Evstigneev

Published Nov 11, 2013• 14 citations
Publisher

Abstract

Focusing on isolated macroscopic systems, described in terms of either a quantum mechanical or a classical model, our two key questions are how far does an initial ensemble (usually far from equilibrium and largely unknown in detail) evolve towards a stationary long-time behavior (equilibration) and how far is this steady state in agreement with the microcanonical ensemble as predicted by statistical mechanics (thermalization). A recently developed quantum mechanical treatment of the problem is briefly summarized, putting particular emphasis on the realistic modeling of experimental measurements and nonequilibrium initial conditions. Within this framework, equilibration can be proven under very weak assumptions about those measurements and initial conditions, while thermalization still requires quite strong additional hypotheses. An analogous approach within the framework of classical mechanics is developed and compared with the quantum case. In particular, the assumptions to guarantee classical equilibration are now rather strong, while thermalization then follows under relatively weak additional conditions.

DOI
10.1103/physreve.88.052114

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Focusing on isolated macroscopic systems, described in terms of either a quantum mechanical or a classical model, our two key questions are how far does an initial ensemble (usually far from equilibrium and largely unknown in detail) evolve towards a stationary long-time behavior (equilibration) and how far is this steady state in agreement with the microcanonical ensemble as predicted by statistical mechanics (thermalization). A recently developed quantum mechanical treatment of the problem is briefly summarized, putting particular emphasis on the realistic modeling of experimental measurements and nonequilibrium initial conditions. Within this framework, equilibration can be proven under very weak assumptions about those measurements and initial conditions, while thermalization still requires quite strong additional hypotheses. An analogous approach within the framework of classical mechanics is developed and compared with the quantum case. In particular, the assumptions to guarantee classical equilibration are now rather strong, while thermalization then follows under relatively weak additional conditions.
Focusing on isolated macroscopic systems, described either in terms of a quantum mechanical or a classical model, our two key questions are: In how far does an initial ensemble (usually far from equilibrium and largely unknown in detail) evolve towards a stationary long-time behavior ("equilibration")? In how far is this steady state in agreement with the microcanonical ensemble as predicted by Statistical Mechanics ("thermalization")? In the first part of the paper, a recently developed quantum mechanical treatment of the problem is briefly summarized, putting particular emphasis on the realistic modeling of experimental measurements and non-equilibrium initial conditions. Within this framework, equilibration can be proven under very weak assumptions about those measurements and initial conditions, while thermalization still requires quite strong additional hypotheses. In the second part, an analogous approach within the framework of classical mechanics is developed and compared with the quantum case. In particular, the assumptions to guarantee classical equilibration are now rather strong, while thermalization then follows under relatively weak additional conditions.
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.
We treat the problem of the approach to thermal equilibrium by only resorting to quantum dynamics of an isolated macroscopic system. Inspired by the two important works in 2009 and in 1929, we have noted that a condition we call "thermodynamic normality" for a macroscopic observable guarantees the approach to equilibrium (in the sense that a measurement of the observable at time ttt almost certainly yields a result close to the corresponding microcanonical average for a sufficiently long and typical ttt). A crucial point is that we make no assumptions on the initial state of the system, except that its energy is distributed close to a certain macroscopic value. We also present three (rather artificial) models in which the thermodynamic normality can be established, thus providing concrete examples in which the approach to equilibrium is rigorously justified. Note that this kind of results which hold for ANY initial state are never possible in classical systems. We are thus dealing with a mechanism which is peculiar to quantum systems. The present note is written in a self-contained (and hopefully readable) manner. It only requires basic knowledge in quantum physics and equilibrium statistical mechanics.
The emergence of classical behavior and the origin of thermal equilibrium are two central problems in the foundations of physics. In the standard accounts, both phenomena are typically explained through interactions with an external environment: decoherence suppresses quantum interference, while coupling to a thermal bath drives relaxation toward equilibrium. Over the last decades, however, it has become clear that equilibration and thermalization can arise even in fully isolated quantum systems, in the operational sense that the expectation values of relevant observables remain close to equilibrium values for most of the time. Here, we ask whether the same intrinsic equilibration mechanism can also account for the emergence of classical behavior. Using rigorous bounds on equilibration in closed systems, we derive sufficient conditions under which a time-evolved pure state becomes, for most times, operationally indistinguishable from a classical mixture associated with a chosen physical property. We identify two complementary routes to such operational classicality: either the chosen property almost commutes with the system Hamiltonian or the observables used to probe the system lose access to the remaining coherence after equilibration. Our results show that classical behavior need not be confined to the energy basis and may emerge even when substantial coherence remains present in the equilibrium state. This establishes a direct connection between two foundational questions: the origin of thermalization in isolated quantum systems and the quantum-to-classical transition
In how far does a non-equilibrium initial ensemble evolve towards a stationary long time behavior for an isolated macroscopic quantum system?We demonstrate that deviations from a steady state indeed become unmeasurably small or exceedingly rare after initial transients have died out under the following conditions: the Hamiltonian does not exhibit exceedingly large degeneracies of energy eigenvalues and energy gaps.A large number of energy levels are significantly populated by the initial ensemble.The system is observed by a measurement device with a reasonably bound working range compared to the resolution limit.The entire experiment, ending in the quantum mechanical measurement process, can only be repeated a 'reasonable' number of times.It is argued that all these prerequisites for equilibration are fulfilled under many, if not all, experimentally realistic conditions.