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arXiv:1202.3229 · Physical Review E

Work fluctuations for Bose particles in grand canonical initial states

Juyeon Yi, Yong Woon Kim, Peter Talkner A

Published May 7, 2012• 32 citations
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Abstract

We consider bosons in a harmonic trap and investigate the fluctuations of the work performed by an adiabatic change of the trap curvature. Depending on the reservoir conditions such as temperature and chemical potential that provide the initial equilibrium state, the exponentiated work average (EWA) defined in the context of the Crooks relation and the Jarzynski equality may diverge if the trap becomes wider. We investigate how the probability distribution function (PDF) of the work signals this divergence. It is shown that at low temperatures the PDF is highly asymmetric with a steep fall-off at one side and an exponential tail at the other side. For high temperatures it is closer to a symmetric distribution approaching a Gaussian form. These properties of the work PDF are discussed in relation to the convergence of the EWA and to the existence of the hypothetical equilibrium state to which those thermodynamic potential changes refer that enter both the Crooks relation and the Jarzynski equality.

DOI
10.1103/physreve.85.051107

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We consider bosons in a harmonic trap and investigate the fluctuations of the work performed by an adiabatic change of the trap curvature. Depending on the reservoir conditions such as temperature and chemical potential that provide the initial equilibrium state, the exponentiated work average (EWA) defined in the context of the Crooks relation and the Jarzynski equality may diverge if the trap becomes wider. We investigate how the probability distribution function (PDF) of the work signals this divergence. It is shown that at low temperatures the PDF is highly asymmetric with a steep fall-off at one side and an exponential tail at the other side. For high temperatures it is closer to a symmetric distribution approaching a Gaussian form. These properties of the work PDF are discussed in relation to the convergence of the EWA and to the existence of the hypothetical equilibrium state to which those thermodynamic potential changes refer that enter both the Crooks relation and the Jarzynski equality.
For ideal Bose atoms in an isotropic harmonic trap, we consider thermodynamic variables obtained from microcanonical, canonical, and grand canonical ensembles, each with certain variables specified and other variables fluctuating. For the first two of these ensembles, we derive recursion relations that link partition functions for different dimensions. We discuss fluctuations in general, and obtain expressions for variances of the atom number N, the chemical potential \ensuremath{\mu}, and the temperature T for small, Gaussian fluctuations in the grand canonical ensemble. Then from our recursion relations and others given elsewhere, we obtain probability distributions for N, for ground-state occupation number n0{n}_{0}n0​, for \ensuremath{\mu}, and for T. Below the critical temperature, the shape of the distributions for N, n0,{n}_{0},n0​, and \ensuremath{\mu} are definitely not Gaussian for the grand canonical ensemble. For given temperature and small N, we find that the chemical potential values pertaining to the three ensembles differ. We compare the specific-heat function CN(T){C}_{N}(T)CN​(T) for the three ensembles and propose to use the minimum of dCN/dT{\mathrm{dC}}_{N}/dTdCN​/dT to define the critical temperature to facilitate comparisons with similar configurations of interacting atoms.
We consider N fermionic particles in a harmonic trap initially prepared in a thermal equilibrium state at temperature β^{-1} and examine the probability density function (pdf) of the work done by a magnetic field slowly varying in time. The behavior of the pdf crucially depends on the number of particles N but also on the temperature. At high temperatures (β≪1) the pdf is given by an asymmetric Laplace distribution for a single particle, and for many particles it approaches a Gaussian distribution with variance proportional to N/β(2). At low temperatures the pdf becomes strongly peaked at the center with a variance that still linearly increases with N but exponentially decreases with the temperature. We point out the consequences of these findings for the experimental confirmation of the Jarzynski equality such as the low probability issue at high temperatures and its solution at low temperatures, together with a discussion of the crossover behavior between the two temperature regimes.
A result of great theoretical and experimental interest, the Jarzynski equality predicts a free energy change $\mathrm{\ensuremath{\Delta}}F$ of a system at inverse temperature $\ensuremath{\beta}$ from an ensemble average of nonequilibrium exponential work, i.e., $\ensuremath{\langle}{e}^{\ensuremath{-}\ensuremath{\beta}W}\ensuremath{\rangle}={e}^{\ensuremath{-}\ensuremath{\beta}\mathrm{\ensuremath{\Delta}}F}$. The number of experimental work values needed to reach a given accuracy of $\mathrm{\ensuremath{\Delta}}F$ is determined by the variance of ${e}^{\ensuremath{-}\ensuremath{\beta}W}$, denoted $\mathrm{var}({e}^{\ensuremath{-}\ensuremath{\beta}W})$. We discover in this work that $\mathrm{var}({e}^{\ensuremath{-}\ensuremath{\beta}W})$ in both harmonic and anharmonic Hamiltonian systems can systematically diverge in nonadiabatic work protocols, even when the adiabatic protocols do not suffer from such divergence. This divergence may be regarded as a type of dynamically induced phase transition in work fluctuations. For a quantum harmonic oscillator with time-dependent trapping frequency as a working example, any nonadiabatic work protocol is found to yield a diverging $\mathrm{var}({e}^{\ensuremath{-}\ensuremath{\beta}W})$ at sufficiently low temperatures, markedly different from the classical behavior. The divergence of $\mathrm{var}({e}^{\ensuremath{-}\ensuremath{\beta}W})$ indicates the too-far-from-equilibrium nature of a nonadiabatic work protocol and makes it compulsory to apply designed control fields to suppress the quantum work fluctuations in order to test the Jarzynski equality.
In the context of nonequilibrium quantum thermodynamics, variables like work behave stochastically. A particular definition of the work probability density function (pdf) for coherent quantum processes allows the verification of the quantum version of the celebrated fluctuation theorems, due to Jarzynski and Crooks, that apply when the system is driven away from an initial equilibrium thermal state. Such a particular pdf depends basically on the details of the initial and final Hamiltonians, on the temperature of the initial thermal state, and on how some external parameter is changed during the coherent process. Using random matrix theory we derive a simple analytic expression that describes the general behavior of the work characteristic function G(u), associated with this particular work pdf for sudden quenches, valid for all the traditional Gaussian ensembles of Hamiltonians matrices. This formula well describes the general behavior of G(u) calculated from single draws of the initial and final Hamiltonians in all ranges of temperatures.
We analyse occupation number fluctuations of an ideal Bose gas in a trap which is isolated from the environment with respect to particle exchange (canonical ensemble). We show that in contrast to the predictions of the grandcanonical ensemble, the counting statistics of particles in the trap ground state changes from monotonously decreasing above the condensation temperature to single-peaked below that temperature. For the exactly solvable case of a harmonic oscillator trapping potential in one spatial dimension we extract a Landau–Ginzburg functional which–despite the non-interacting nature of the system–displays the characteristic behaviour of a weakly interacting Bose gas. We also compare our findings with the usual treatment which is based on the grand-canonical ensemble. We show that for an ideal Bose gas neither the grand-canonical and canonical ensemble thermodynamically equivalent, nor the grand-canonical ensemble can be viewed as a small system in diffusive contact with a particle reservoir.
We have investigated the thermodynamic behaviour of ideal Bose gases with an arbitrary number of particles confined in a harmonic potential. By taking into account the conservation of the total number N of particles and using a saddle-point approximation, we derive analytically the simple explicit expression of mean occupation number in any state of the finite system. The temperature dependence of the chemical potential, specific heat, and condensate fraction for the trapped finite-size Bose system is obtained numerically. We compare our results with the usual treatment which is based on the grand canonical ensemble. It is shown that there exists a considerable difference between them at sufficiently low temperatures, especially for the relative small numbers of Bose atoms. The finite-size scaling at the transition temperature for the harmonically trapped systems is also discussed. We find that the scaled condensate fractions for various system sizes and temperatures collapse onto a single scaled form.