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Thermalization of small quantum systems: From the zeroth law of thermodynamics

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 Added by Jiaozi Wang
 Publication date 2019
  fields Physics
and research's language is English




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Thermalization of isolated quantum systems has been studied intensively in recent years and significant progresses have been achieved. Here, we study thermalization of small quantum systems that interact with large chaotic environments under the consideration of Schr{o}dinger evolution of composite systems, from the perspective of the zeroth law of thermodynamics. Namely, we consider a small quantum system that is brought into contact with a large environmental system; after they have relaxed, they are separated and their temperatures are studied. Our question is under what conditions the small system may have a detectable temperature that is identical with the environmental temperature. This should be a necessary condition for the small quantum system to be thermalized and to have a well-defined temperature. By using a two-level probe quantum system that plays the role of a thermometer, we find that the zeroth law is applicable to quantum chaotic systems, but not to integrable systems.



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The phenomenon described by our title should surprise no one. What may be surprising though is how easy it is to produce a quantum system with this feature; moreover, that system is one that is often used for the purpose of showing how systems equilibrate. The violation can be variously manifested. In our detailed example, bringing a detuned 2-level system into contact with a monochromatic reservoir does not cause it to relax to the reservoir temperature; rather, the system acquires the reservoirs level-occupation-ratio.
We show that systems with negative specific heat can violate the zeroth law of thermodynamics. By both numerical simulations and by using exact expressions for free energy and microcanonical entropy it is shown that if two systems with the same intensive parameters but with negative specific heat are thermally coupled, they undergo a process in which the total entropy increases irreversibly. The final equilibrium is such that two phases appear, that is, the subsystems have different magnetizations and internal energies at temperatures which are equal in both systems, but that can be different from the initial temperature.
The zeroth law of thermodynamics involves a transitivity relation (pairwise between three objects) expressed either in terms of `equal temperature (ET), or `in equilibrium (EQ) conditions. In conventional thermodynamics conditional on vanishingly weak system-bath coupling these two conditions are commonly regarded as equivalent. In this work we show that for thermodynamics at strong coupling they are inequivalent: namely, two systems can be in equilibrium and yet have different effective temperatures. A recent result cite{NEqFE} for Gaussian quantum systems shows that an effective temperature $T^{*}$ can be defined at all times during a systems nonequilibrium evolution, but because of the inclusion of interaction energy, after equilibration the systems $T^*$ is slightly higher than the bath temperature $T_{textsc{b}}$, with the deviation depending on the coupling. A second object coupled with a different strength with an identical bath at temperature $T_{textsc{b}}$ will not have the same equilibrated temperature as the first object. Thus $ET eq EQ $ for strong coupling thermodynamics. We then investigate the conditions for dynamical equilibration for two objects 1 and 2 strongly coupled with a common bath $B$, each with a different equilibrated effective temperature. We show this is possible, and prove the existence of a generalized fluctuation-dissipation relation under this configuration. This affirms that `in equilibrium is a valid and perhaps more fundamental notion which the zeroth law for quantum thermodynamics at strong coupling should be based on. Only when the system-bath coupling becomes vanishingly weak that `temperature appearing in thermodynamic relations becomes universally defined and makes better physical sense.
Boltzmanns ergodic hypothesis furnishes a possible explanation for the emergence of statistical mechanics in the framework of classical physics. In quantum mechanics, the Eigenstate Thermalization Hypothesis (ETH) is instead generally considered as a possible route to thermalization. This is because the notion of ergodicity itself is vague in the quantum world and it is often simply taken as a synonym for thermalization. Here we show, in an elementary way, that when quantum ergodicity is properly defined, it is, in fact, equivalent to ETH. In turn, ergodicity is equivalent to thermalization, thus implying the equivalence of thermalization and ETH. This result previously appeared in [De Palma et al., Phys. Rev. Lett. 115, 220401 (2015)], but becomes particularly clear in the present context. We also show that it is possible to define a classical analogue of ETH which is implicitly assumed to be satisfied when constructing classical statistical mechanics. Classical and quantum statistical mechanics are built according to the familiar standard prescription. This prescription, however, is ontologically justified only in the quantum world.
We study the evolution of an open quantum system described by a dynamical semigroup having the Lindblad superoperator as a generator. This generator may have an eigenfunction with a unity eigenvalue, referred to as a constant of motion (COM). An open quantum system has a unique stationary state if and only if it has no COMs. A system with multiple stationary states has a basis of COMs; any COM of the system is a linear combination of the basis COMs. The basis divides the space of system states into subspaces. Each subspace has its own stationary state, and any stationary state of the system is a linear combination of these states. Usually, neither the basis of COMs nor even the number of COMs is known. We demonstrate that finding the stationary state of the system does not require looking for the COMs. Instead, one can construct a set of invariant subspaces. If the system evolution begins from one of these subspaces, the system will remain in it, arriving at a stationary state independent of evolution in other subspaces. We suggest a direct way of finding the invariant subspaces by studying the evolution of the system. We show that the sets of invariant subspaces and subspaces generated by the basis of COMs are equivalent. A stationary state of the system is a weighted sum of stationary states in each invariant subspace; the weighted factors are determined by the initial state of the system.
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