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arXiv:0812.4955 · Physical Review E

Quantum Crooks fluctuation theorem and quantum Jarzynski equality in the presence of a reservoir

H. T. Quan, Hang Dong

Published Dec 29, 2008• 6 citations
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Abstract

We consider the quantum mechanical generalization of Crooks Fluctuation Theorem and Jarzynski Equality for an open quantum system. The explicit expression for microscopic work for an arbitrary prescribed protocol is obtained, and the relation between quantum Crooks Fluctuation Theorem, quantum Jarzynski Equality and their classical counterparts are clarified. Numerical simulations based on a two-level toy model are used to demonstrate the validity of the quantum version of the two theorems beyond linear response theory regime.

DOI
10.48550/arxiv.0812.4955

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We consider the quantum mechanical generalization of Crooks Fluctuation Theorem and Jarzynski Equality for an open quantum system. The explicit expression for microscopic work for an arbitrary prescribed protocol is obtained, and the relation between quantum Crooks Fluctuation Theorem, quantum Jarzynski Equality and their classical counterparts are clarified. Numerical simulations based on a two-level toy model are used to demonstrate the validity of the quantum version of the two theorems beyond linear response theory regime.
Based on the observation that the thermodynamic equilibrium free energy of an open quantum system in contact with a thermal environment is the difference between the free energy of the total system and that of the bare environment, the validity of the Crooks theorem and of the Jarzynski equality is extended to open quantum systems. No restrictions on the nature of the environment or on the strength of the coupling between system and environment need to be imposed. This free energy entering the Crooks theorem and the Jarzynski equality is closely related to the Hamiltonian of mean force that generalizes the classical statistical mechanical concept of the potential of mean force.
For classical systems driven out of equilibrium, Crooks derived a relation (the Crooks-Jarzynski relation), whose special cases include a relation (the Crooks relation) equivalent to the Kawasaki non-linear response relation. We derive a quantum extension of the Crooks-Jarzynski relation without explicitly using the principle of microreversibility. Its special cases lead to the Jarzynski equality and the standard linear response theory with a Green-Kubo formula with a canonical correlation function. We also derive a quantum extension of the Crooks relation using the principle of microreversibility. Its special cases lead to the Jarzynski equality, the Crooks transient fluctuation theorem, and the fluctuation theorem for current or shear stress, which leads to a Green-Kubo formula with a symmetrized correlation function. For each quantum Crooks relation, there exists a corresponding quantum Crooks-Jarzynski relation. Using either relation, we can derive the Jarzynski equality, the fluctuation theorems mentioned above, and the standard linear response theory.
There are two related theorems which hold even in far from equilibrium, namely fluctuation theorem and Jarzynski equality. Fluctuation theorem states the existence of symmetry of fluctuation of entropy production, while the Jarzynski equality enables us to estimate the free energy change between two states by using irreversible processes. On the other hand, the relationship between these theorems was investigated by Crooks [Phys. Rev. E 60, 2721 (1999)] for the classical stochastic systems. In this paper, we derive quantum analogues of fluctuation theorem and Jarzynski equality in terms of microscopic reversibility. In other words, the quantum analog of the work by Crooks is presented. Also, for the quasiclassical Langevin system, microscopically reversible condition is confirmed.
In this paper we present a first-principles analysis of the nonequilibrium work distribution and the free energy difference of a quantum system interacting with a general environment (with arbitrary spectral density and for all temperatures) based on a well-understood microphysics (quantum Brownian motion) model under the conditions stipulated by the Jarzynski equality [Jarzynski, Phys. Rev. Lett. 78, 2690 (1997)] and Crooks' fluctuation theorem [Crooks, Phys. Rev. E 60, 2721 (1999)] (in short, fluctuation theorems, FTs). We use the decoherent histories conceptual framework to explain how the notion of trajectories in a quantum system can be made viable and use the environment-induced decoherence scheme to assess the strength of noise that could provide sufficient decoherence to warrant the use of trajectories to define work in open quantum systems. From the solutions to the Langevin equation governing the stochastic dynamics of such systems we were able to produce formal expressions for these quantities entering in the FTs and from them prove explicitly the validity of the FTs at the high temperature limit. At low temperatures our general results would enable one to identify the range of parameters where FTs may not hold or need be expressed differently. We explain the relation between classical and quantum FTs and the advantage of this microphysics open-system approach over the phenomenological modeling and energy-level calculations for substitute closed quantum systems.
We give a perturbative analysis of Crooks relation and Jarzynski equality in an arbitrary driven quantum system weakly coupled to a heat bath. Invoking no efficient Hamiltonian nor any restriction on the form of the coupling, we derive the first-order correction to Crooks relation and Jarzynski equality in terms of the interacting Hamiltonian. A Crooks type of relation about energy increment in the system and nonvanishing heat expenditure to the heat bath up to the second order of interaction would be given by the way. Our results tell us that deviation of the quantum fluctuation relations is mainly caused by energy trapped interaction rather than the heat flow to (or from) heat bath. We also show a way of defining work in weak coupling regime which is consistent to the work definition in closed systems and thus deepen our understanding of work in quantum realm.