Bound on Efficiency of Heat Engine from Uncertainty Relation Viewpoint

Quantum cycles in established heat engines can be modeled with various quantum systems as working substances. For example, a heat engine can be modeled with an infinite potential well as the working substance to determine the efficiency and work done. However, in this method, the relationship between the quantum observables and the physically measurable parameters—i.e., the efficiency and work done—is not well understood from the quantum mechanics approach. A detailed analysis is needed to link the thermodynamic variables (on which the efficiency and work done depends) with the uncertainty principle for better understanding. Here, we present the connection of the sum uncertainty relation of position and momentum operators with thermodynamic variables in the quantum heat engine model. We are able to determine the upper and lower bounds on the efficiency of the heat engine through the uncertainty relation.     

Thermodynamic model for feedback control of systems with uncertain macroscopic states

Thermodynamics of feedback control processes, including the minimum work consumption of measurement, work extraction, and erasure processes of thermodynamic small systems have been investigated by researchers. We take systems with uncertain macroscopic states as the study object and study the feedback control processes of nonequilibrium macroscopic systems considering both the information entropy of microscopic states and macroscopic states. First we consider a system set that consists of systems with several macroscopic states and discuss the relations among the average information entropy of the system set, the thermodynamic entropy of the systems and the information entropy of macroscopic states of the systems. Then, we derive the expression of the average maximum net work obtained through feedback control, which relates to the free energy of the systems and the minimum work consumption of the measurement and erasure processes.     

Steady-state thermodynamics for heat conduction: microscopic derivation

Starting from microscopic mechanics, we derive thermodynamic relations for heat conducting nonequilibrium steady states. The extended Clausius relation enables one to experimentally determine nonequilibrium entropy to the second order in the heat current. The associated Shannon-like microscopic expression of the entropy is suggestive. When the heat current is fixed, the extended Gibbs relation provides a unified treatment of thermodynamic forces in the linear nonequilibrium regime.     

A Drive towards Thermodynamic Efficiency for Dissipative Structures in Chemical Reaction Networks

Dissipative accounts of structure formation show that the self-organisation of complex structures is thermodynamically favoured, whenever these structures dissipate free energy that could not be accessed otherwise. These structures therefore open transition channels for the state of the universe to move from a frustrated, metastable state to another metastable state of higher entropy. However, these accounts apply as well to relatively simple, dissipative systems, such as convection cells, hurricanes, candle flames, lightning strikes, or mechanical cracks, as they do to complex biological systems. Conversely, interesting computational properties—that characterize complex biological systems, such as efficient, predictive representations of environmental dynamics—can be linked to the thermodynamic efficiency of underlying physical processes. However, the potential mechanisms that underwrite the selection of dissipative structures with thermodynamically efficient subprocesses is not completely understood. We address these mechanisms by explaining how bifurcation-based, work-harvesting processes—required to sustain complex dissipative structures—might be driven towards thermodynamic efficiency. We first demonstrate a simple mechanism that leads to self-selection of efficient dissipative structures in a stochastic chemical reaction network, when the dissipated driving chemical potential difference is decreased. We then discuss how such a drive can emerge naturally in a hierarchy of self-similar dissipative structures, each feeding on the dissipative structures of a previous level, when moving away from the initial, driving disequilibrium.     

Time-Reversal and Entropy

There is a relation between the irreversibility of thermodynamic processes as expressed by the breaking of time-reversal symmetry, and the entropy production in such processes. We explain on an elementary mathematical level the relations between entropy production, phase-space contraction and time-reversal starting from a deterministic dynamics. Both closed and open systems, in the transient and in the steady regime, are considered. The main result identifies under general conditions the statistical mechanical entropy production as the source term of time-reversal breaking in the path space measure for the evolution of reduced variables. This provides a general algorithm for computing the entropy production and to understand in a unified way a number of useful (in)equalities. We also discuss the Markov approximation. Important are a number of old theoretical ideas for connecting the microscopic dynamics with thermodynamic behavior.     

Entropy,Information, and the Updating of Probabilities

This paper is a review of a particular approach to the method of maximum entropy as a general framework for inference. The discussion emphasizes pragmatic elements in the derivation. An epistemic notion of information is defined in terms of its relation to the Bayesian beliefs of ideally rational agents. The method of updating from a prior to posterior probability distribution is designed through an eliminative induction process. The logarithmic relative entropy is singled out as a unique tool for updating (a) that is of universal applicability, (b) that recognizes the value of prior information, and (c) that recognizes the privileged role played by the notion of independence in science. The resulting framework—the ME method—can handle arbitrary priors and arbitrary constraints. It includes the MaxEnt and Bayes’ rules as special cases and, therefore, unifies entropic and Bayesian methods into a single general inference scheme. The ME method goes beyond the mere selection of a single posterior, and also addresses the question of how much less probable other distributions might be, which provides a direct bridge to the theories of fluctuations and large deviations.     

How Does Pressure Fluctuate in Equilibrium?

We study fluctuations of pressure in equilibrium for classical particle systems. In equilibrium statistical mechanics, pressure for a microscopic state is defined by the derivative of a thermodynamic function or, more mechanically, through the momentum current. We show that although the two expectation values converge to the same equilibrium value in the thermodynamic limit, the variance of the mechanical pressure is in general greater than that of the pressure defined through the thermodynamic relation. We also present a condition for experimentally detecting the difference between them in an idealized measurement of momentum transfer.     

Dynamics of Ultracold Bosons in Artificial Gauge Fields—Angular Momentum,Fragmentation, and the Variance of Entropy

We consider the dynamics of two-dimensional interacting ultracold bosons triggered by suddenly switching on an artificial gauge field. The system is initialized in the ground state of a harmonic trapping potential. As a function of the strength of the applied artificial gauge field, we analyze the emergent dynamics by monitoring the angular momentum, the fragmentation as well as the entropy and variance of the entropy of absorption or single-shot images. We solve the underlying time-dependent many-boson Schrödinger equation using the multiconfigurational time-dependent Hartree method for indistinguishable particles (MCTDH-X). We find that the artificial gauge field implants angular momentum in the system. Fragmentation—multiple macroscopic eigenvalues of the reduced one-body density matrix—emerges in sync with the dynamics of angular momentum: the bosons in the many-body state develop non-trivial correlations. Fragmentation and angular momentum are experimentally difficult to assess; here, we demonstrate that they can be probed by statistically analyzing the variance of the image entropy of single-shot images that are the standard projective measurement of the state of ultracold atomic systems.     

Mathematical Theory of Non-Equilibrium Quantum Statistical Mechanics

We review and further develop a mathematical framework for non-equilibrium quantum statistical mechanics recently proposed in refs. 1–7. In the algebraic formalism of quantum statistical mechanics we introduce notions of non-equilibrium steady states, entropy production and heat fluxes, and study their properties. Our basic paradigm is a model of a small (finite) quantum system coupled to several independent thermal reservoirs. We exhibit examples of such systems which have strictly positive entropy production.     

Entropy and the Experience of Heat

We discuss how to construct a direct and experientially natural path to entropy as a extensive quantity of a macroscopic theory of thermal systems and processes. The scientific aspects of this approach are based upon continuum thermodynamics. We ask what the roots of an experientially natural approach might be—to this end we investigate and describe in some detail (a) how humans experience and conceptualize an extensive thermal quantity (i.e., an amount of heat), and (b) how this concept evolved during the early development of the science of thermal phenomena (beginning with the Experimenters of the Accademia del Cimento and ending with Sadi Carnot). We show that a direct approach to entropy, as the extensive quantity of models of thermal systems and processes, is possible and how it can be applied to the teaching of thermodynamics for various audiences.     

Entropy and Nonlinear Nonequilibrium Thermodynamic Relation for Heat Conducting Steady States

Among various possible routes to extend entropy and thermodynamics to nonequilibrium steady states (NESS), we take the one which is guided by operational thermodynamics and the Clausius relation. In our previous study, we derived the extended Clausius relation for NESS, where the heat in the original relation is replaced by its “renormalized” counterpart called the excess heat, and the Gibbs-Shannon expression for the entropy by a new symmetrized Gibbs-Shannon-like expression. Here we concentrate on Markov processes describing heat conducting systems, and develop a new method for deriving thermodynamic relations. We first present a new simpler derivation of the extended Clausius relation, and clarify its close relation with the linear response theory. We then derive a new improved extended Clausius relation with a “nonlinear nonequilibrium” contribution which is written as a correlation between work and heat. We argue that the “nonlinear nonequilibrium” contribution is unavoidable, and is determined uniquely once we accept the (very natural) definition of the excess heat. Moreover it turns out that to operationally determine the difference in the nonequilibrium entropy to the second order in the temperature difference, one may only use the previous Clausius relation without a nonlinear term or must use the new relation, depending on the operation (i.e., the path in the parameter space). This peculiar “twist” may be a clue to a better understanding of thermodynamics and statistical mechanics of NESS.     

Maxwell’s demon and the management of ignorance in stochastic thermodynamics

It is nearly 150 years since Maxwell challenged the validity of the second law of thermodynamics by imagining a tiny creature who could sort the molecules of a gas in such a way that would decrease entropy without exerting any work. The demon has been discussed largely using thought experiments, but it has recently become possible to exert control over nanoscale systems, just as Maxwell imagined, and the status of the second law has become a more practical matter, raising the issue of how measurements manage our ignorance in a way that can be exploited. The framework of stochastic thermodynamics extends macroscopic concepts such as heat, work, entropy and irreversibility to small systems and allows us explore the matter. Some arguments against a successful demon imply a second law that can be suspended indefinitely until we dissipate energy in order to remove the records of his operations. In contrast, under stochastic thermodynamics, the demon fails because on average, more work is performed upfront in making a measurement than can be extracted by exploiting the outcome. This requires us to exclude systems and a demon that evolve under what might be termed self-sorting dynamics, and we reflect on the constraints on control that this implies while still working within a thermodynamic framework.     

Thermodynamic Efficiency of Interactions in Self-Organizing Systems

The emergence of global order in complex systems with locally interacting components is most striking at criticality, where small changes in control parameters result in a sudden global reorganization. We study the thermodynamic efficiency of interactions in self-organizing systems, which quantifies the change in the system’s order per unit of work carried out on (or extracted from) the system. We analytically derive the thermodynamic efficiency of interactions for the case of quasi-static variations of control parameters in the exactly solvable Curie–Weiss (fully connected) Ising model, and demonstrate that this quantity diverges at the critical point of a second-order phase transition. This divergence is shown for quasi-static perturbations in both control parameters—the external field and the coupling strength. Our analysis formalizes an intuitive understanding of thermodynamic efficiency across diverse self-organizing dynamics in physical, biological, and social domains.     

Entropy production in nonequilibrium systems at stationary states

We present a stochastic approach to nonequilibrium thermodynamics based on the expression of the entropy production rate advanced by Schnakenberg for systems described by a master equation. From the microscopic Schnakenberg expression we get the macroscopic bilinear form for the entropy production rate in terms of fluxes and forces. This is performed by placing the system in contact with two reservoirs with distinct sets of thermodynamic fields and by assuming an appropriate form for the transition rate. The approach is applied to an interacting lattice gas model in contact with two heat and particle reservoirs. On a square lattice, a continuous symmetry breaking phase transition takes place such that at the nonequilibrium ordered phase a heat flow sets in even when the temperatures of the reservoirs are the same. The entropy production rate is found to have a singularity at the critical point of the linear-logarithm type.     

Nonequilibrium Thermodynamics in Biochemical Systems and Its Application

Living systems are open systems, where the laws of nonequilibrium thermodynamics play the important role. Therefore, studying living systems from a nonequilibrium thermodynamic aspect is interesting and useful. In this review, we briefly introduce the history and current development of nonequilibrium thermodynamics, especially that in biochemical systems. We first introduce historically how people realized the importance to study biological systems in the thermodynamic point of view. We then introduce the development of stochastic thermodynamics, especially three landmarks: Jarzynski equality, Crooks’ fluctuation theorem and thermodynamic uncertainty relation. We also summarize the current theoretical framework for stochastic thermodynamics in biochemical reaction networks, especially the thermodynamic concepts and instruments at nonequilibrium steady state. Finally, we show two applications and research paradigms for thermodynamic study in biological systems.     

Nonequilibrium entropy production for open quantum systems

We consider open quantum systems weakly coupled to a heat reservoir and driven by arbitrary time-dependent parameters. We derive exact microscopic expressions for the nonequilibrium entropy production and entropy production rate, valid arbitrarily far from equilibrium. By using the two-point energy measurement statistics for system and reservoir, we further obtain a quantum generalization of the integrated fluctuation theorem put forward by Seifert [Phys. Rev. Lett. 95, 040602 (2005)].     

Extended Clausius Relation and Entropy for Nonequilibrium Steady States in Heat Conducting Quantum Systems

Recently, in their attempt to construct steady state thermodynamics (SST), Komatsu, Nakagawa, Sasa, and Tasaki found an extension of the Clausius relation to nonequilibrium steady states in classical stochastic processes. Here we derive a quantum mechanical version of the extended Clausius relation. We consider a small system of interest attached to large systems which play the role of heat baths. By only using the genuine quantum dynamics, we realize a heat conducting nonequilibrium steady state in the small system. We study the response of the steady state when the parameters of the system are changed abruptly, and show that the extended Clausius relation, in which “heat” is replaced by the “excess heat”, is valid when the temperature difference is small. Moreover we show that the entropy that appears in the relation is similar to von Neumann entropy but has an extra symmetrization with respect to time-reversal. We believe that the present work opens a new possibility in the study of nonequilibrium phenomena in quantum systems, and also confirms the robustness of the approach by Komatsu et al.     

Uncertainty Relation for Errors Focusing on General POVM Measurements with an Example of Two-State Quantum Systems

A novel uncertainty relation for errors of general quantum measurement is presented. The new relation, which is presented in geometric terms for maps representing measurement, is completely operational and can be related directly to tangible measurement outcomes. The relation violates the naïve bound ℏ/2 for the position-momentum measurement, whilst nevertheless respecting Heisenberg’s philosophy of the uncertainty principle. The standard Kennard–Robertson uncertainty relation for state preparations expressed by standard deviations arises as a corollary to its special non-informative case. For the measurement on two-state quantum systems, the relation is found to offer virtually the tightest bound possible; the equality of the relation holds for the measurement performed over every pure state. The Ozawa relation for errors of quantum measurements will also be examined in this regard. In this paper, the Kolmogorovian measure-theoretic formalism of probability—which allows for the representation of quantum measurements by positive-operator valued measures (POVMs)—is given special attention, in regard to which some of the measure-theory specific facts are remarked along the exposition as appropriate.