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arXiv:1512.01189 · Nature Communications

Microcanonical and resource-theoretic derivations of the thermal state of a quantum system with noncommuting charges

Nicole Yunger Halpern, Philippe Faist, Jonathan Oppenheim, Andreas Winter

Published Jul 7, 2016• 153 citations
arXivHTMLPDF

Abstract

The grand canonical ensemble lies at the core of quantum and classical statistical mechanics. A small system thermalizes to this ensemble while exchanging heat and particles with a bath. A quantum system may exchange quantities represented by operators that fail to commute. Whether such a system thermalizes and what form the thermal state has are questions about truly quantum thermodynamics. Here we investigate this thermal state from three perspectives. First, we introduce an approximate microcanonical ensemble. If this ensemble characterizes the system-and-bath composite, tracing out the bath yields the system's thermal state. This state is expected to be the equilibrium point, we argue, of typical dynamics. Finally, we define a resource-theory model for thermodynamic exchanges of noncommuting observables. Complete passivity-the inability to extract work from equilibrium states-implies the thermal state's form, too. Our work opens new avenues into equilibrium in the presence of quantum noncommutation.

DOI
10.1038/ncomms12051

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The grand canonical ensemble lies at the core of quantum and classical statistical mechanics. A small system thermalizes to this ensemble while exchanging heat and particles with a bath. A quantum system may exchange quantities represented by operators that fail to commute. Whether such a system thermalizes and what form the thermal state has are questions about truly quantum thermodynamics. Here we investigate this thermal state from three perspectives. First, we introduce an approximate microcanonical ensemble. If this ensemble characterizes the system-and-bath composite, tracing out the bath yields the system's thermal state. This state is expected to be the equilibrium point, we argue, of typical dynamics. Finally, we define a resource-theory model for thermodynamic exchanges of noncommuting observables. Complete passivity-the inability to extract work from equilibrium states-implies the thermal state's form, too. Our work opens new avenues into equilibrium in the presence of quantum noncommutation.
For a small system at a low temperature, thermal fluctuation and quantum effect play important roles in quantum thermodynamics. Starting from micro-canonical ensemble, we generalize the Boltzmann–Gibbs statistical factor from infinite to finite systems, no matter the interactions between particles are considered or not. This generalized factor, similar to Tsallis’s q-form as a power-law distribution, has the restriction of finite energy spectrum and includes the nonextensivities of the small systems. We derive the exact expression for distribution of average particle numbers in the interacting classical and quantum nonextensive systems within a generalized canonical ensemble. This expression in the almost independent or elementary excitation quantum finite systems is similar to the corresponding ones obtained from the conventional grand-canonical ensemble. In the reconstruction for the statistical theory of the small systems, we present the entropy of the equilibrium systems and equation of total thermal energy. When we investigate the thermodynamics for the interacting nonextensive systems, we obtain the system–bath heat exchange and “uncompensated heat” which are in the thermodynamical level and independent on the detail of the system–bath coupling. For ideal finite systems, with different traps and boundary conditions, we calculate some thermodynamic quantities, such as the specific heat, entropy, and equation of state, etc. Particularly at low temperatures for the small systems, we predict some novel behaviors in the quantum thermodynamics, including internal entropy production, heat exchanges between the system and its surroundings and finite-size effects on the free energy.
Quantum simulators have recently enabled experimental observations of the internal thermalization of quantum many-body systems.Often, the global energy and particle number are conserved and the system is prepared with a well-defined particle number-in a microcanonical subspace.However, quantum evolution can also conserve quantities, or charges, that fail to commute with each other.Noncommuting charges have recently emerged as a subfield at the intersection of quantum thermodynamics and quantum information.Until now, this subfield has remained theoretical.We initiate the experimental testing of its predictions, with a trapped-ion simulator.We prepare 6-21 spins in an approximate microcanonical subspace, a generalization of the microcanonical subspace for accommodating noncommuting charges, which cannot necessarily have well-defined nontrivial values simultaneously.We simulate a Heisenberg evolution using laser-induced entangling interactions and collective spin rotations.The noncommuting charges are the three spin components.We find that small subsystems equilibrate to near a recently predicted non-Abelian thermal state.This work bridges quantum many-body simulators to the quantum thermodynamics of noncommuting charges, the predictions of which can now be tested.
Abstract Thermodynamics, which describes vast systems, has been reconciled with small scales, relevant to single-molecule experiments, in resource theories . Resource theories have been used to model exchanges of energy and information. Recently, particle exchanges were modeled; and an umbrella family of thermodynamic resource theories was proposed to model diverse baths, interactions, and free energies. This paper motivates and details the family’s structure and prospective applications. How to model electrochemical, gravitational, magnetic, and other thermodynamic systems is explained. Szilárd’s engine and Landauer’s Principle are generalized, as resourcefulness is shown to be convertible not only between information and gravitational energy, but also among diverse degrees of freedom. Extensive variables are associated with quantum operators that might fail to commute, introducing extra nonclassicality into thermodynamic resource theories. An early version of this paper partially motivated the later development of noncommutative thermalization. This generalization expands the theories’ potential for modeling realistic systems with which small-scale statistical mechanics might be tested experimentally.
We consider a theory of quantum thermodynamics with multiple conserved quantities (or charges). To this end, we generalize the seminal results of Sparaciari et al. [PRA 96:052112, 2017] to the case of multiple, in general non-commuting charges, for which we formulate a resource theory of thermodynamics of asymptotically many non-interacting systems. To every state we associate the vector of its expected charge values and its entropy, forming the phase diagram of the system. Our fundamental result is the Asymptotic Equivalence Theorem (AET), which allows us to identify the equivalence classes of states under asymptotic approximately charge-conserving unitaries with the points of the phase diagram. Using the phase diagram of a system and its bath, we analyze the first and the second laws of thermodynamics. In particular, we show that to attain the second law, an asymptotically large bath is necessary. In the case that the bath is composed of several identical copies of the same elementary bath, we quantify exactly how large the bath has to be to permit a specified work transformation of a given system, in terms of the number of copies of the elementary bath systems per work system (bath rate). If the bath is relatively small, we show that the analysis requires an extended phase diagram exhibiting negative entropies. This corresponds to the purely quantum effect that at the end of the process, system and bath are entangled, thus permitting classically impossible transformations. For a large bath, system and bath may be left uncorrelated and we show that the optimal bath rate, as a function of how tightly the second law is attained, can be expressed in terms of the heat capacity of the bath. Our approach, solves a problem from earlier investigations about how to store the different charges under optimal work extraction protocols in physically separate batteries.
In this chapter we address the topic of quantum thermodynamics in the presence of additional observables beyond the energy of the system. In particular we discuss the special role that the generalized Gibbs ensemble plays in this theory, and derive this state from the perspectives of a micro-canonical ensemble, dynamical typicality and a resource-theory formulation. A notable obstacle occurs when some of the observables do not commute, and so it is impossible for the observables to simultaneously take on sharp microscopic values. We show how this can be circumvented, discuss information-theoretic aspects of the setting, and explain how thermodynamic costs can be traded between the different observables. Finally, we discuss open problems and future directions for the topic.
For a macroscopic, isolated quantum system in an unknown pure state, the expectation value of any given observable is shown to hardly deviate from the ensemble average with extremely high probability under generic equilibrium and nonequilibrium conditions. Special care is devoted to the uncontrollable microscopic details of the system state. For a subsystem weakly coupled to a large heat bath, the canonical ensemble is recovered under much more general and realistic assumptions than those implicit in the usual microcanonical description of the composite system at equilibrium.