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arXiv:1705.07811 · Entropy

On Work and Heat in Time-Dependent Strong Coupling

Erik M. Aurell

Published Nov 7, 2017• 23 citations
arXivHTMLPDF

Abstract

This paper revisits the classical problem of representing a thermal bath interacting with a system as a large collection of harmonic oscillators initially in thermal equilibrium. As is well known, the system then obeys an equation, which in the bulk and in the suitable limit tends to the Kramers–Langevin equation of physical kinetics. I consider time-dependent system-bath coupling and show that this leads to an additional harmonic force acting on the system. When the coupling is switched on and switched off rapidly, the force has delta-function support at the initial and final time. I further show that the work and heat functionals as recently defined in stochastic thermodynamics at strong coupling contain additional terms depending on the time derivative of the system-bath coupling. I discuss these terms and show that while they can be very large if the system-bath coupling changes quickly, they only give a finite contribution to the work that enters in Jarzynski’s equality. I also discuss that these corrections to standard work and heat functionals provide an explanation for non-standard terms in the change of the von Neumann entropy of a quantum bath interacting with a quantum system found in an earlier contribution (Aurell and Eichhorn, 2015).

DOI
10.3390/e19110595

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This paper revisits the classical problem of representing a thermal bath interacting with a system as a large collection of harmonic oscillators initially in thermal equilibrium. As is well known, the system then obeys an equation, which in the bulk and in the suitable limit tends to the Kramers–Langevin equation of physical kinetics. I consider time-dependent system-bath coupling and show that this leads to an additional harmonic force acting on the system. When the coupling is switched on and switched off rapidly, the force has delta-function support at the initial and final time. I further show that the work and heat functionals as recently defined in stochastic thermodynamics at strong coupling contain additional terms depending on the time derivative of the system-bath coupling. I discuss these terms and show that while they can be very large if the system-bath coupling changes quickly, they only give a finite contribution to the work that enters in Jarzynski’s equality. I also discuss that these corrections to standard work and heat functionals provide an explanation for non-standard terms in the change of the von Neumann entropy of a quantum bath interacting with a quantum system found in an earlier contribution (Aurell and Eichhorn, 2015).
The change of the von Neumann entropy of a set of harmonic oscillators initially in thermal equilibrium and interacting linearly with an externally driven quantum system is computed by adapting the Feynman–Vernon influence functional formalism. This quantum entropy production has the form of the expectation value of three functionals of the forward and backward paths describing the system history in the Feynman–Vernon theory. In the classical limit of Kramers–Langevin dynamics (Caldeira–Leggett model) these functionals combine to three terms, where the first is the entropy production functional of stochastic thermodynamics, the classical work done by the system on the environment in units of k B T, and the second and the third other functionals which have no analogue in stochastic thermodynamics.
We consider a time-dependent quantum linear oscillator coupled to a bath at an arbitrary strength. We then introduce a generalized Jarzynski equality (GJE) which includes the terms reflecting the system-bath coupling. This enables us to study systematically the coupling effect on the linear oscillator in a non-equilibrium process. This is also associated with the second law of thermodynamics beyond the weak-coupling limit. We next take into consideration the GJE in the classical limit. By this generalization we show that the Jarzynski equality in its original form can be associated with the second law, in both quantal and classical domains, only in the vanishingly small coupling regime.
Abstract This review provides a brief and quick introduction to the quantum Langevin equation for an oscillator, while focusing on the steady-state thermodynamic aspects. A derivation of the quantum Langevin equation is carefully outlined based on the microscopic model of the heat bath as a collection of a large number of independent quantum oscillators, the so-called independent-oscillator model. This is followed by a discussion on the relevant ‘weak-coupling’ limit. In the steady state, we analyze the quantum counterpart of energy equipartition theorem which has generated a considerable amount of interest in recent literature. The free energy, entropy, specific heat, and third law of thermodynamics are discussed for one-dimensional quantum Brownian motion in a harmonic well. Following this, we explore some aspects of dissipative diamagnetism in the context of quantum Brownian oscillators, emphasizing upon the role of confining potentials and also upon the environment-induced classical-quantum crossover. We discuss situations where the system-bath coupling is via the momentum variables by focusing on a gauge-invariant model of momentum-momentum coupling in the presence of a vector potential; for this problem, we derive the quantum Langevin equation and discuss quantum thermodynamic functions. Finally, the topic of fluctuation theorems is discussed (albeit, briefly) in the context of classical and quantum cyclotron motion of a particle coupled to a heat bath.
This paper is about quantum heat defined as the change in energy of a bath during a process. The presentation takes into account recent developments in classical strong-coupling thermodynamics and addresses a version of quantum heat that satisfies quantum-classical correspondence. The characteristic function and the full counting statistics of quantum heat are shown to be formally similar. The paper further shows that the method can be extended to more than one bath, e.g., two baths at different temperatures, which opens up the prospect of studying correlations and heat flow. The paper extends earlier results on the expected quantum heat in the setting of one bath [E. Aurell and R. Eichhorn, New J. Phys. 17, 065007 (2015)NJOPFM1367-263010.1088/1367-2630/17/6/065007; E. Aurell, Entropy 19, 595 (2017)ENTRFG1099-430010.3390/e19110595].
We study finite-time quantum Otto cycles whose working medium is a harmonic oscillator undergoing a quantum Brownian motion described by the Caldeira-Leggett model when the oscillator is in contact with heat baths in isochoric processes. The time evolution of the Otto cycle is studied by analytically solving the exact Heisenberg-Langevin equations for the system variables and the interaction energy between the system and the bath. This enables us to investigate non-Markovian strong-coupling effects on the quantum Otto cycle. We obtain cyclic steady states and study the thermodynamic properties of the Otto cycle for various values of the parameters describing the heat baths and the coupling between the system and the bath. We compare our results with those obtained in the Markovian limit, where the time evolution is described by the Lindblad equation. We find that the change in the interaction energy during the isochoric process contributes to both work and heat and plays a crucial role in determining the thermodynamic behavior of the cycle. This is in contrast to the behavior of the state observables of the working medium, which show relatively small change compared to the Markovian counterparts. We find that non-Markovian effects only become significant when we consider thermodynamic fluxes such as work and heat with the system-bath interaction fully taken into account. We also compare our results with the power-efficiency trade-off relation recently proposed for the Markovian quantum Otto engine.
Starting from quantum Langevin equations for operators we study thermal properties of a one-dimensional harmonic chain to whose ends independent heat baths are attached. In this paper, we mainly discuss the thermal equilibrium state that the chain eventually approaches if the heat baths are at equal temperatures. In the classical limit, this state is determined by the Gibbs ensemble of the free chain, whereas in the quantal case, this is only true if the strength of coupling between chain and heat baths is made infinitely small. We find that corrections for finite coupling strength are appreciable only in boundary layers near both ends of the chain. The thickness of the boundary layers depends only on the temperature and not on the damping constant. Outside these boundary layers we find an analogy between thermal properties of the chain and a discrete random walk.