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arXiv:1410.6312 · Physical Review A

Nonequilibrium-thermodynamics approach to open quantum systems

Vitalii Semin, Francesco Petruccione

Published Nov 18, 2014• 11 citations
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Abstract

Open quantum systems are studied from the thermodynamical point of view unifying the principle of maximum informational entropy and the hypothesis of relaxation times hierarchy. The result of the unification is a non-Markovian and local-in-time master equation that provides a direct connection for dynamical and thermodynamical properties of open quantum systems. The power of the approach is illustrated by the application to the damped harmonic oscillator and the damped driven two-level system, resulting in analytical expressions for the non-Markovian and nonequilibrium entropy and inverse temperature.

DOI
10.1103/physreva.90.052112

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Open quantum systems are studied from the thermodynamical point of view unifying the principle of maximum informational entropy and the hypothesis of relaxation times hierarchy. The result of the unification is a non-Markovian and local-in-time master equation that provides a direct connection for dynamical and thermodynamical properties of open quantum systems. The power of the approach is illustrated by the application to the damped harmonic oscillator and the damped driven two-level system, resulting in analytical expressions for the non-Markovian and nonequilibrium entropy and inverse temperature.
We develop a general theory describing the thermodynamical behavior of open quantum systems coupled to thermal baths beyond perturbation theory. Our approach is based on the exact time-local quantum master equation for the reduced open-system states, and on a principle of minimal dissipation. This principle leads to a unique prescription for the decomposition of the master equation into a Hamiltonian part representing coherent time evolution and a dissipator part describing dissipation and decoherence. Employing this decomposition we demonstrate how to define work, heat, and entropy production, formulate the first and second laws of thermodynamics, and establish the connection between violations of the second law and quantum non-Markovianity.
The non-Markovian dynamics of open quantum systems is studied from two different points of view. The first one coincides with the traditional tracing out of the environmental degrees of freedom, presented in classical textbooks on open quantum systems. The second one is an approximation of the exact density operator with the knowledge of only several dynamical variables in the spirit of non-equilibrium thermodynamics. The approximation is based on the principle of maximal entropy. We discuss the information and the Renyi entropies, which lead to different approximations. The time-convolutionless master equation governs the dynamics of both traditional and approximated reduced density operator with a particular projection operator. Considering the example of two interacting qubits in a thermal environment, we compare the traditional and thermodynamical approaches.
We discuss fundamental features of the local expression for the entropy production rate of the nonequilibrium quantum dynamics of open systems and its relations to memory effects and the spectrum of the generator of the dynamics. Defining the entropy production rate as negative rate of change of the relative entropy with respect to an instantaneous fixed point, it is shown that positivity of the entropy production rate for all possible initial states implies that the real parts of the eigenvalues of the time-local generator for the quantum master equation are always negative. It is further demonstrated that Markovian dynamics, identified as P-divisibility of the quantum dynamical map, implies positivity of entropy production rate, thus providing a kind of generalized second law in the nonequilibrium regime. We also prove by means of the counterexample of a phase covariant quantum master equation that the converse of this statement is not true, i.e., there are non-Markovian dynamics for which the entropy production rate is always positive. Thus, we conclude that the emergence of negative entropy production rates is a sufficient but not necessary condition for non-Markovianity of the quantum dynamics. Finally, we also consider a recently introduced map-based notion of entropy production and show the equivalence between its positivity and Markovianity for general finite-dimensional systems.
The quantum master equation obtained from two different thermodynamic arguments is seriously nonlinear. We argue that, for quantum systems, nonlinearity occurs naturally in the step from reversible to irreversible equations and we analyze the nature and consequences of the nonlinear contribution. The thermodynamic nonlinearity naturally leads to canonical equilibrium solutions and extends the range of validity to lower temperatures. We discuss the Markovian character of the thermodynamic quantum master equation and introduce a solution strategy based on coupled evolution equations for the eigenstates and eigenvalues of the density matrix. The general ideas are illustrated for the two-level system and for the damped harmonic oscillator. Several conceptual implications of the nonlinearity of the thermodynamic quantum master equation are pointed out, including the absence of a Heisenberg picture and the resulting difficulties with defining multitime correlations.
We develop a general theory describing the thermodynamical behavior of open quantum systems coupled to thermal baths beyond perturbation theory. Our approach is based on the exact time-local quantum master equation for the reduced open system states, and on a principle of minimal dissipation. This principle leads to a unique prescription for the decomposition of the master equation into a Hamiltonian part representing coherent time evolution and a dissipator part describing dissipation and decoherence. Employing this decomposition we demonstrate how to define work, heat and entropy production, formulate the first and second law of thermodynamics, and establish the connection between violations of the second law and quantum non-Markovianity.
We establish a generic method to analyze the time evolution of open quantum many-body systems. Our approach is based on a variational integration of the quantum master equation describing the dynamics and naturally connects to a variational principle for its nonequilibrium steady state. We successfully apply our variational method to study dissipative Rydberg gases, finding very good quantitative agreement with small-scale simulations of the full quantum master equation. We observe that correlations related to non-Markovian behavior play a significant role during the relaxation dynamics towards the steady state. We further quantify this non-Markovianity and find it to be closely connected to an information-theoretical measure of quantum and classical correlations.