Abstract We study the dynamics of quantum statistical ensembles at first-order phase transition points of finite macroscopic systems. First, we show that at the first-order phase transition point of the system, with an order parameter that does not commute with the Hamiltonian, any quantum state with an order parameter that has a nonzero value always evolves towards a macroscopically distinct state after a sufficiently long time. From this result, we argue that the stationarity required for statistical ensembles should be interpreted as stationarity on a sufficiently long but finite timescale. Finally, we prove that the density matrix of the squeezed ensemble, a class of generalized statistical ensembles proposed as the only concrete method of constructing phase coexistence states applicable to general quantum systems, is locally stationary on timescales diverging in the thermodynamic limit. Our results support the validity of the squeezed ensemble from a dynamical point of view and open the door to nonequilibrium statistical physics at the first-order phase transition point.
Abstract We study the dynamics of quantum statistical ensembles at first-order phase transition points of finite macroscopic systems. First, we show that at the first-order phase transition point of the system, with an order parameter that does not commute with the Hamiltonian, any quantum state with an order parameter that has a nonzero value always evolves towards a macroscopically distinct state after a sufficiently long time. From this result, we argue that the stationarity required for statistical ensembles should be interpreted as stationarity on a sufficiently long but finite timescale. Finally, we prove that the density matrix of the squeezed ensemble, a class of generalized statistical ensembles proposed as the only concrete method of constructing phase coexistence states applicable to general quantum systems, is locally stationary on timescales diverging in the thermodynamic limit. Our results support the validity of the squeezed ensemble from a dynamical point of view and open the door to nonequilibrium statistical physics at the first-order phase transition point.
Coexisting phases in a phase coexistence state cannot be distinguished by thermodynamic forces, such as temperature and chemical potential, because the forces take the same values over all coexisting phases. Therefore, to investigate a phase coexistence state, it is necessary to employ an ensemble in which all additive observables that distinguish the coexisting phases have macroscopically definite values. Although the microcanonical ensemble is conventionally employed as such an ensemble, it becomes ill-defined when some of the additive observables do not commute with each other, and a new ensemble has been craved. We propose a novel class of ensembles such that the additive observables, which are generally noncommutative, always have macroscopically definite values even in a first-order phase transition region. Using these ensembles, we propose a concrete method to construct phase coexistence states of general quantum systems. Furthermore, these ensembles are convenient for practical calculations because of good analytic properties. To demonstrate that our formulation successfully gives phase coexistence states of quantum systems, we apply it to a two-dimensional system whose coexisting phases are distinguished by an additive observable (order parameter) that does not commute with the Hamiltonian. To the author's best knowledge, this is the first work that obtains phase coexistence states separated by phase interfaces at finite temperature in such a quantum system.
All ensembles of statistical mechanics are equivalent in the sense that they give the equivalent thermodynamic functions in the thermodynamic limit. However, when investigating microscopic structures in the first-order phase transition region, one must choose an appropriate statistical ensemble. The appropriate choice is particularly important when one investigates finite systems, for which even the equivalence of ensembles does not hold. We propose a class of statistical ensembles, which always give the correct equilibrium state even in the first-order phase transition region. We derive various formulas for this class of ensembles, including the one by which temperature is obtained directly from energy without knowing entropy. Moreover, these ensembles are convenient for practical calculations because of good analytic properties. We also derive formulas which relate statistical-mechanical quantities of different ensembles, including the conventional ones, for finite systems. The formulas are useful for obtaining results with smaller finite-size effects, and for improving the computational efficiency. The advantages of the squeezed ensembles are confirmed by applying them to the Heisenberg model and the frustrated Ising model.
Abstract A phase coexistence state cannot be specified uniquely by any intensive parameters, such as the temperature and the magnetic field, because they take the same values over all coexisting phases. It can be specified uniquely only by an appropriate set of additive observables. Hence, to analyze phase coexistence states the statistical ensembles that are specified by additive observables have been employed, such as the microcanonical and restricted ensembles. However, such ensembles are ill-defined or ill-behaved when some of the additive observables do not commute with each other. Here, we solve this fundamental problem by extending a generalized ensemble in such a way that it is applicable to phase coexistence states that are specified by noncommutative additive observables. We prove that this ensemble correctly gives the density matrix corresponding to phase coexistence states of general quantum systems as well as the thermodynamic functions. Furthermore, these ensembles are convenient for practical calculations because of their good analytic properties and useful formulas by which temperature and other intensive parameters are directly obtained from the expectation values of the additive observables. As a demonstration, we apply our formulation to a two-dimensional system whose phase coexistence states are specified by an additive observable (order parameter) that does not commute with the Hamiltonian.
We present a general theory of classical metastability in open quantum systems. Metastability is a consequence of a large separation in timescales in the dynamics, leading to the existence of a regime when states of the system appear stationary, before eventual relaxation toward a true stationary state at much larger times. In this work, we focus on the emergence of classical metastability, i.e., when metastable states of an open quantum system with separation of timescales can be approximated as probabilistic mixtures of a finite number of states. We find that a number of classical features follow from this approximation, for the manifold of metastable states, long-time dynamics between them, and symmetries of the dynamics. Namely, those states are approximately disjoint and thus play the role of metastable phases, the relaxation toward the stationary state is approximated by a classical stochastic dynamics between them, and weak symmetries correspond to their permutations. Importantly, the classical dynamics is observed not only on average but also at the level of individual quantum trajectories: We show that time coarse-grained continuous measurement records can be viewed as noisy classical trajectories, while their statistics can be approximated by that of the classical dynamics. Among others, this explains how first-order dynamical phase transitions arise from metastability. Finally, to verify the presence of classical metastability in a given open quantum system, we develop an efficient numerical approach that delivers the set of metastable phases together with the effective classical dynamics. Since the proximity to a first-order dissipative phase transition manifests as metastability, the theory and tools introduced in this work can be used to investigate such transitions---which occur in the large size limit---through the metastable behavior of many-body systems of moderate sizes accessible to numerics.
We apply a recently developed theory for metastability in open quantum systems to a one-dimensional dissipative quantum Ising model. Earlier results suggest this model features either a nonequilibrium phase transition or a smooth but sharp crossover, where the stationary state changes from paramagnetic to ferromagnetic, accompanied by strongly intermittent emission dynamics characteristic of first-order coexistence between dynamical phases. We show that for a range of parameters close to this transition or crossover point the dynamics of the finite system displays pronounced metastability, i.e., the system relaxes first to long-lived metastable states before eventual relaxation to the true stationary state. From the spectral properties of the quantum master operator we characterize the low-dimensional manifold of metastable states, which are shown to be probability mixtures of two, paramagnetic and ferromagnetic, metastable phases. We also show that for long times the dynamics can be approximated by a classical stochastic dynamics between the metastable phases that is directly related to the intermittent dynamics observed in quantum trajectories and thus the dynamical phases.
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.