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arXiv:1403.5363 · Physical Review E

Noncanonical statistics of a finite quantum system with non-negligible system-bath coupling

Dazhi Xu, Sheng-Wen Li, Xingfang Liu, Che Sun

Published Dec 17, 2014• 19 citations
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Abstract

The canonical statistics describes the statistical properties of an open system by assuming its coupling with the heat bath is infinitesimal in comparison with the total energy in thermodynamic limit. In this paper, we generally derive a noncanonical density matrix for the open system with a finite coupling to the heat bath, which deforms the energy shell to effectively modify the conventional canonical way. The obtained noncanonical distribution reflects the back action of system on the bath and thus depicts the statistical correlations between two subsystems by the mutual information as a result of energy conservation.

DOI
10.1103/physreve.90.062125

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The canonical statistics describes the statistical properties of an open system by assuming its coupling with the heat bath is infinitesimal in comparison with the total energy in thermodynamic limit. In this paper, we generally derive a noncanonical density matrix for the open system with a finite coupling to the heat bath, which deforms the energy shell to effectively modify the conventional canonical way. The obtained noncanonical distribution reflects the back action of system on the bath and thus depicts the statistical correlations between two subsystems by the mutual information as a result of energy conservation.
For a small system at a low temperature, thermal fluctuation and quantum effect play important roles in quantum thermodynamics. Starting from micro-canonical ensemble, we generalize the Boltzmann–Gibbs statistical factor from infinite to finite systems, no matter the interactions between particles are considered or not. This generalized factor, similar to Tsallis’s q-form as a power-law distribution, has the restriction of finite energy spectrum and includes the nonextensivities of the small systems. We derive the exact expression for distribution of average particle numbers in the interacting classical and quantum nonextensive systems within a generalized canonical ensemble. This expression in the almost independent or elementary excitation quantum finite systems is similar to the corresponding ones obtained from the conventional grand-canonical ensemble. In the reconstruction for the statistical theory of the small systems, we present the entropy of the equilibrium systems and equation of total thermal energy. When we investigate the thermodynamics for the interacting nonextensive systems, we obtain the system–bath heat exchange and “uncompensated heat” which are in the thermodynamical level and independent on the detail of the system–bath coupling. For ideal finite systems, with different traps and boundary conditions, we calculate some thermodynamic quantities, such as the specific heat, entropy, and equation of state, etc. Particularly at low temperatures for the small systems, we predict some novel behaviors in the quantum thermodynamics, including internal entropy production, heat exchanges between the system and its surroundings and finite-size effects on the free energy.
Equilibrium canonical distribution in statistical mechanics assumes weak system-bath coupling (SBC). In real physical situations this assumption can be invalid, and equilibrium quantum statistics of the system may be noncanonical. By exploiting both polaron transformation and perturbation theory in a spin-boson model, an analytical treatment is advocated to study noncanonical statistics of a two-level system at arbitrary temperature and for arbitrary SBC strength, yielding theoretical results in agreement with exact Monte Carlo simulations. In particular, the eigen-representation of system's reduced density matrix is used to quantify noncanonical statistics as well as the quantumness of the open system. For example, it is found that irrespective of SBC strength, noncanonical statistics enhances as temperature decreases but vanishes at high temperature.
The role of the system-bath coupling is studied for the generalized canonical thermalization of a system S surrounded by a heat bath B, which was most recently shown [S. Popescu, et al., Nature Physics 2,754(2006) and S. Goldstein et al., Phys. Rev. Lett. 96, 050403(2006)] as a kinematic reduction to a canonical equilibrium state from almost all the pure states of the universe formed by S plus B. This kinematic process is revisited by explicitly considering the energy shell deformation due to the interaction between S and B with an exactly solvable model. By calculating the state numbers of the universe and its subsystems S and B in the deformed energy shells, it is found that, for the overwhelming majority of the universe states (they are entangled at least), the diagonal canonical typicality remains robust with respect to finite interactions between S and B. Particularly, the kinematic decoherence is utilized here to account for the vanishing of the off-diagonal elements of the reduced density matrix of S. It is pointed out that the non-vanishing off-diagonal elements due to the finiteness of bath and the stronger system-bath interaction might offer novelties of the quantum thermalization.
In statistical mechanics, any quantum system in equilibrium with its weakly coupled reservoir is described by a canonical state at the same temperature as the reservoir. Here, by studying the equilibration dynamics of a harmonic oscillator interacting with a reservoir, we evaluate microscopically the condition under which the equilibration to a canonical state is valid. It is revealed that the non-Markovian effect and the availability of a stationary state of the total system play a profound role in the equilibration. In the Markovian limit, the conventional canonical state can be recovered. In the non-Markovian regime, when the stationary state is absent, the system equilibrates to a generalized canonical state at an effective temperature; whenever the stationary state is present, the equilibrium state of the system cannot be described by any canonical state anymore. Our finding of the physical condition on such noncanonical equilibration might have significant impact on statistical physics. A physical scheme based on circuit QED is proposed to test our results.
Derivation of the canonical (or Boltzmann) distribution based only on quantum dynamics is discussed. Consider a closed system which consists of a mutually interacting subsystem and a heat bath, and assume that the whole system is initially in a pure state (which can be far from equilibrium) with small energy fluctuation. Under the ``hypothesis of equal weights for eigenstates,'' we derive the canonical distribution in the sense that, at sufficiently large and typical time, the (instantaneous) quantum mechanical expectation value of an arbitrary operator of the subsystem is almost equal to the desired canonical expectation value. We present a class of examples in which the above derivation can be rigorously established without any unproven hypotheses.
Involvement of the environment is indispensable for establishing the statistical distribution of system. We analyze the statistical distribution of a quantum system coupled strongly with a heat bath. This distribution is determined by tracing over the bath's degrees of freedom for the equilibrium system-plus-bath composite. The stability of system distribution is largely affected by the system--bath interaction strength. We propose that the quantum system exhibits a stable distribution only when its system response function in the frequency domain satisfies χ~(ω=0+)>0\tildeχ(ω= 0+)>0χ~​(ω=0+)>0. We show our results by investigating the non-interacting bosonic impurity system from both the thermodynamic and dynamic perspectives. Our study refines the theoretical framework of canonical statistics, offering insights into thermodynamic phenomena in small-scale systems.