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Non-equilibrium evolution of quantum systems connected to multiple baths

Jinshan Wu

Published Jan 1, 2010• 0 citations
Publisher

Abstract

In this thesis we develop a systematic formalism that allows the calculation of transport properties for small quantum systems coupled to multiple baths with different temperatures and/or chemical potentials. Our approach is based on a generalization of the projector operator technique, previously used to study the evolution towards equilibrium of systems weakly coupled to a single bath. Applying this technique to a system weakly coupled to multiple baths, we find a dynamical equation for the reduced density matrix of the system (the reduced density matrix is obtained by tracing out from the total density matrix the baths’ degrees of freedom). Integration of this dynamical equation gives the time evolution of the biased system. After a time interval long enough compared to the characteristic time-scales of the problem, the system arrives to a non-equilibrium steady-state. The density matrix in this non-equilibrium steady state can also be calculated directly, avoiding the time-integration of the dynamical equation. In the second part of the thesis we study non-equilibrium steady states and heat transport through short spin chains coupled to two thermal baths with different temperature. Two new definitions for the local temperature in nonequilibrium are proposed, based on local spin and energy at different sites. The definition based on the local energy seems to be more reliable. We find that for small biases, the heat and spin currents increase proportionally to the bias, however non-linear behavior is observed for large biases. The temperature profile of the chain depends strongly on the parameters of the system.

DOI
10.14288/1.0084847

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In this thesis we develop a systematic formalism that allows the calculation of transport properties for small quantum systems coupled to multiple baths with different temperatures and/or chemical potentials. Our approach is based on a generalization of the projector operator technique, previously used to study the evolution towards equilibrium of systems weakly coupled to a single bath. Applying this technique to a system weakly coupled to multiple baths, we find a dynamical equation for the reduced density matrix of the system (the reduced density matrix is obtained by tracing out from the total density matrix the baths’ degrees of freedom). Integration of this dynamical equation gives the time evolution of the biased system. After a time interval long enough compared to the characteristic time-scales of the problem, the system arrives to a non-equilibrium steady-state. The density matrix in this non-equilibrium steady state can also be calculated directly, avoiding the time-integration of the dynamical equation. In the second part of the thesis we study non-equilibrium steady states and heat transport through short spin chains coupled to two thermal baths with different temperature. Two new definitions for the local temperature in nonequilibrium are proposed, based on local spin and energy at different sites. The definition based on the local energy seems to be more reliable. We find that for small biases, the heat and spin currents increase proportionally to the bias, however non-linear behavior is observed for large biases. The temperature profile of the chain depends strongly on the parameters of the system.
Time-dependent density matrix renormalization group method with a matrix product ansatz is employed for explicit computation of non-equilibrium steady state density operators of several integrable and non-integrable quantum spin chains, which are driven far from equilibrium by means of Markovian couplings to external baths at the two ends. It is argued that even though the time-evolution can not be simulated efficiently due to fast entanglement growth, the steady states in and out of equilibrium can be typically accurately approximated, so that chains of length of the order n ~ 100 are accessible. Our results are demonstrated by performing explicit simulations of steady states and calculations of energy/spin densities/currents in several problems of heat and spin transport in quantum spin chains. Previously conjectured relation between quantum chaos and normal transport is re-confirmed with high acurracy on much larger systems.
A time-dependent density matrix renormalization group method with a matrix product ansatz is employed for explicit computation of non-equilibrium steady state density operators of several integrable and non-integrable quantum spin chains, which are driven far from equilibrium by means of Markovian couplings to external baths at the two ends. It is argued that even though the time evolution cannot be simulated efficiently due to fast entanglement growth, the steady states in and out of equilibrium can be typically accurately approximated, with the result that chains of length of the order of n≈100 spins are accessible. Our results are demonstrated by performing explicit simulations of steady states and calculations of energy/spin densities/currents in several problems of heat and spin transport in quantum spin chains. A previously conjectured relation between quantum chaos and normal transport is re-confirmed with high accuracy for much larger systems.
Obtaining dynamics of an interacting quantum many-body system connected to multiple baths initially at different, finite, temperatures and chemical potentials is a challenging problem. This is due to a combination of the prevalence of strong correlations in the system, the infinite nature of the baths and the long time to reach steady state. In this paper, we develop a general formalism that allows access to the full non-Markovian dynamics of such open quantum many-body systems up to the nonequilibrium steady state, provided its uniqueness. Specifically, we show how finite-time evolution in the presence of finite-sized baths, whose opportune size is determined by their original spectral density, can be recursively used to faithfully reconstruct the exact dynamics without requiring any small parameter. Such a reconstruction is possible even in parameter regimes which would otherwise be inaccessible by current state-of-the-art techniques. We specifically demonstrate this by obtaining the full numerically exact non-Markovian dynamics of interacting fermionic chains in two terminal setups with finite temperature and voltage biases, a problem which previously remained outstanding despite its relevance in a wide range of contexts, for example, quantum heat engines and refrigerators.
Based on the references [P1–P6], we investigate in this cumulative PhD thesis the dynamics and transport in closed and open interacting spin chain models. We focus on (i) the connection between the open and the closed system dynamics [P1, P2], (ii) the influence of various system parameters on the transport behavior in closed and open systems [P3, P5], and in addtion (iii) the dynamics and transport in closed models [P4, P6]. As for (i), we explore the connection of the dynamics in open systems, modeled by the Lindblad equation, and the correlation functions in the closed system [P1]. Building on this connection for magnetization transport, we study whether the time evolution of the open quantum system can be described in terms of classical correlation functions generated by the Hamiltonian equations of motion for real vectors [P2]. Second, we study in (ii) the influence of different parameters on the diffusion constants in closed and open systems [P3, P5]. In Ref. [P3], we study the impact of integrability-breaking perturbations in both closed and open spin chain systems. While we find a continuous change of the diffusion constant with perturbation strength in the closed system, in the open system, in the weak-perturbation limit, we indicate the possibility of a diverging diffusion constant. Also, we investigate the influence of the system-bath coupling on the transport behavior in boundary-driven open systems [P5]. We observe that the diffusion constants depend on the system-bath coupling and that in the nonequilibrium steady state, they inevitably retain finite-size effects, limiting the computation of long-time transport coefficients. Additional for (iii), in Ref. [P4], we first examine the impact of perturbations on the dynamics in closed spin chain models. We employ projector-operator techniques to understand, on perturbative grounds, the nontrivial damping of the standard correlation function. Second, we also discuss a dynamical quantum typicality approach for studying the energy transport in bipartite systems at low temperatures [P6].
We develop a general framework for studying the equilibrium and non-equilibrium properties of arbitrary networks of Sachdev-Ye-Kitaev clusters coupled to thermal baths. We proceed to apply this technique to the problem of energy transport, which is known to be diffusive due to the strange metal behavior of these models. We use the external baths to impose a temperature gradient in the system and study the emerging non-equilibrium steady state using the Schwinger-Keldysh formalism. We consider two different configurations for the baths, implementing either a boundary or bulk driving, and show that the latter leads to a significantly faster convergence to the steady state. This setup allows us to compute both the temperature and frequency dependence of the diffusion constant. At low temperatures, our results agree perfectly with the previously known values for diffusivity in the conformal limit. We also establish a relationship between energy transport and quantum chaos by showing that the diffusion constant is upper bounded by the chaos propagation rate at all temperatures. Moreover, we find a simple analytical form for the non-equilibrium Green's functions in the linear response regime and use it to derive exact closed-form expressions for the diffusion constant in various limits. We mostly focus on uniform one-dimensional chains, but we also discuss higher-dimensional generalizations.
We study nonequilibrium steady states (NESSs) in the weakly-coupled XXZ model in contact with two heat baths at different temperatures. We show that the density matrix can be represented using only projection operators specified by the quantum numbers of the quantum group Uq(sl2)U_q(sl_2)Uq​(sl2​) in a very good approximation. By using this property, we numerically calculate physical quantities such as temperature profile, energy current, and correlation functions, for the spin chain consisting of several hundred spins. We analytically derive the exact density matrix in the limit q→0q \rightarrow 0q→0.