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物性研究

Relaxation to equilibrium in macroscopic quantum systems : foundation of statistical mechanics(Perspectives of Nonequilibrium Statistical Physics-The Memory of Professor Shuichi Tasaki-)

Takaaki Monnai

Published Dec 5, 2011• 0 citations
OpenAlex

Abstract

In conclusion, by assuming that the initial state is prepared as a microcanonical ensemble, the actual state at time t=T can be replaced by another microcanonical ensemble in the evaluation of macroscopic quantities. The derivation is based on the high dimensionality of the Hilbert space, and restrictions for the system size dependence of observables as well as the perturbative treatment of the unitary transformation of the energy eigenstates. The validity of the uniformly random sampling assumption for [numerical formula] is numerically verified for a nonintegrable spin chain. It is also remarked that the initial state can be out of equilibrium, i.e. the initial density matrix is [numerical formula] with a unitary transformation U_0, since this can be regarded as the state evolved from an actual initial state [numerical formula].

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In conclusion, by assuming that the initial state is prepared as a microcanonical ensemble, the actual state at time t=T can be replaced by another microcanonical ensemble in the evaluation of macroscopic quantities. The derivation is based on the high dimensionality of the Hilbert space, and restrictions for the system size dependence of observables as well as the perturbative treatment of the unitary transformation of the energy eigenstates. The validity of the uniformly random sampling assumption for [numerical formula] is numerically verified for a nonintegrable spin chain. It is also remarked that the initial state can be out of equilibrium, i.e. the initial density matrix is [numerical formula] with a unitary transformation U_0, since this can be regarded as the state evolved from an actual initial state [numerical formula].
A quantum mechanical explanation of the relaxation to equilibrium is shown for macroscopic systems for nonintegrable cases and numerically verified. The macroscopic system is initially in an equilibrium state, subsequently externally perturbed during a finite time, and then isolated for a sufficiently long time. We show a quantitative explanation that the initial microcanonical state typically reaches a state whose expectation values are well approximated by the average over another microcanonical ensemble.
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.
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.
The study of quantum statistical mechanics begins with a review of the basic principles of quantum mechanics. Schrödinger’s equation is introduced and Eigenstates (or stationary states) are defined. Model probability for quantum statistics is assumed to have a uniform distribution in phases. Wave functions for many-body systems are defined. The density matrix is introduced. The Planck entropy and the microcanonical ensemble are defined. The differences between classical and quantum statistical mechanics are all based on the differing concepts of a microscopic ‘state’. While the classical microscopic state (specified by a point in phase space) determines the exact position and momentum of every particle, the quantum mechanical state determines neither; quantum states can only provide probability distributions for observable quantities.
The irreversible relaxation to equilibrium is explained for macroscopic quantum systems with an emphasis on the behavior of expectation values and extremely high dimensionality of the Hilbert space. We consider a large but isolated system that is initially out of equilibrium and eventually relaxes to equilibrium. The relaxation is described by the deviation of the expectation value of the quantity of interest from the long-time average. After relaxation, the amount of deviation from equilibrium is discussed based on probabilistic arguments, which are available for nonintegrable systems. We also evaluate how long the system stays near equilibrium.
We consider an isolated macroscopic quantum system. Let H\mathcal{H}H be a microcanonical ``energy shell,'' i.e., a subspace of the system's Hilbert space spanned by the (finitely) many energy eigenstates with energies between EEE and $E+\ensuremath{\delta}E$. The thermal equilibrium macrostate at energy EEE corresponds to a subspace Heq{\mathcal{H}}_{eq}Heq​ of H\mathcal{H}H such that dim Heq/dim H\text{dim}\text{ }{\mathcal{H}}_{eq}/\text{dim}\text{ }\mathcal{H}dim Heq​/dim H is close to 1. We say that a system with state vector $\ensuremath{\psi}∊\mathcal{H}$ is in thermal equilibrium if $\ensuremath{\psi}$ is ``close'' to Heq{\mathcal{H}}_{eq}Heq​. We show that for ``typical'' Hamiltonians with given eigenvalues, all initial state vectors ${\ensuremath{\psi}}_{0}$ evolve in such a way that ${\ensuremath{\psi}}_{t}$ is in thermal equilibrium for most times ttt. This result is closely related to von Neumann's quantum ergodic theorem of 1929.