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Thermodynamic uncertainty principles make up one of the few rare anchors in the largely uncharted waters of nonequilibrium systems, the fluctuation theorems being the more familiar. In this work we aim to trace the uncertainties of thermodynamic quantities in nonequilibrium systems to their quantum origins, namely, to the quantum uncertainty principles. Our results enable us to make this categorical statement: For Gaussian systems, thermodynamic functions are functionals of the Robertson-Schrödinger uncertainty function, which is always non-negative for quantum systems, but not necessarily so for classical systems. Here, quantum refers to noncommutativity of the canonical operator pairs. From the nonequilibrium free energy, we succeeded in deriving several inequalities between certain thermodynamic quantities. They assume the same forms as those in conventional thermodynamics, but these are nonequilibrium in nature and they hold for all times and at strong coupling. In addition we show that a fluctuation-dissipation inequality exists at all times in the nonequilibrium dynamics of the system. For nonequilibrium systems which relax to an equilibrium state at late times, this fluctuation-dissipation inequality leads to the Robertson-Schrödinger uncertainty principle with the help of the Cauchy-Schwarz inequality. This work provides the microscopic quantum basis to certain important thermodynamic properties of macroscopic nonequilibrium systems.

The reversible computation paradigm aims to provide a new foundation for general classical digital computing that is capable of circumventing the thermodynamic limits to the energy efficiency of the conventional, non-reversible digital paradigm. However, to date, the essential rationale for, and analysis of, classical reversible computing (RC) has not yet been expressed in terms that leverage the modern formal methods of non-equilibrium quantum thermodynamics (NEQT). In this paper, we begin developing an NEQT-based foundation for the physics of reversible computing. We use the framework of Gorini-Kossakowski-Sudarshan-Lindblad dynamics (a.k.a. Lindbladians) with multiple asymptotic states, incorporating recent results from resource theory, full counting statistics and stochastic thermodynamics. Important conclusions include that, as expected: (1) Landauer’s Principle indeed sets a strict lower bound on entropy generation in traditional non-reversible architectures for deterministic computing machines when we account for the loss of correlations; and (2) implementations of the alternative reversible computation paradigm can potentially avoid such losses, and thereby circumvent the Landauer limit, potentially allowing the efficiency of future digital computing technologies to continue improving indefinitely. We also outline a research plan for identifying the fundamental minimum energy dissipation of reversible computing machines as a function of speed.

In apparent contradiction to the laws of thermodynamics, Maxwell’s demon is able to cyclically extract work from a system in contact with a thermal bath, exploiting the information about its microstate. The resolution of this paradox required the insight that an intimate relationship exists between information and thermodynamics. Here, we realize a Maxwell demon experiment that tracks the state of each constituent in both the classical and quantum regimes. The demon is a microwave cavity that encodes quantum information about a superconducting qubit and converts information into work by powering up a propagating microwave pulse by stimulated emission. Thanks to the high level of control of superconducting circuits, we directly measure the extracted work and quantify the entropy remaining in the demon’s memory. This experiment provides an enlightening illustration of the interplay of thermodynamics with quantum information.

The interplay between quantum-mechanical properties, such as coherence, and classical notions, such as energy, is a subtle topic at the forefront of quantum thermodynamics. The traditional Carnot argument limits the conversion of heat to work; here we critically assess the problem of converting coherence to work. Through a careful account of all resources involved in the thermodynamic transformations within a fully quantum-mechanical treatment, we show that there exist thermal machines extracting work from coherence arbitrarily well. Such machines only need to act on individual copies of a state and can be reused. On the other hand, we show that for any thermal machine with finite resources not all the coherence of a state can be extracted as work. However, even bounded thermal machines can be reused infinitely many times in the process of work extraction from coherence.

The study of open quantum systems often relies on approximate master equations derived under the assumptions of weak coupling to the environment. However when the system is made of several interacting subsystems such a derivation is in many cases very hard. An alternative method, employed especially in the modeling of transport in mesoscopic systems, consists in using local master equations (LMEs) containing Lindblad operators acting locally only on the corresponding subsystem. It has been shown that this approach however generates inconsistencies with the laws of thermodynamics. In this paper we demonstrate that using a microscopic model of LMEs based on repeated collisions all thermodynamic inconsistencies can be resolved by correctly taking into account the breaking of global detailed balance related to the work cost of maintaining the collisions. We provide examples based on a chain of quantum harmonic oscillators whose ends are connected to thermal reservoirs at different temperatures. We prove that this system behaves precisely as a quantum heat engine or refrigerator, with properties that are fully consistent with basic thermodynamics.

Significance In ordinary thermodynamics, transitions are governed by a single quantity–the free energy. Its monotonicity is a formulation of the second law. Here, we find that the second law for microscopic or highly correlated systems takes on a very different form than it does at the macroscopic scale, imposing not just one constraint on state transformations, but many. We find a family of quantum free energies which generalize the standard free energy, and can never increase. The ordinary second law corresponds to the nonincreasing of one of these free energies, with the remainder imposing additional constraints on thermodynamic transitions. In the thermodynamic limit, these additional second laws become equivalent to the standard one. We also prove a strengthened version of the zeroth law of thermodynamics, allowing a definition of temperature. The second law of thermodynamics places constraints on state transformations. It applies to systems composed of many particles, however, we are seeing that one can formulate laws of thermodynamics when only a small number of particles are interacting with a heat bath. Is there a second law of thermodynamics in this regime? Here, we find that for processes which are approximately cyclic, the second law for microscopic systems takes on a different form compared to the macroscopic scale, imposing not just one constraint on state transformations, but an entire family of constraints. We find a family of free energies which generalize the traditional one, and show that they can never increase. The ordinary second law relates to one of these, with the remainder imposing additional constraints on thermodynamic transitions. We find three regimes which determine which family of second laws govern state transitions, depending on how cyclic the process is. In one regime one can cause an apparent violation of the usual second law, through a process of embezzling work from a large system which remains arbitrarily close to its original state. These second laws are relevant for small systems, and also apply to individual macroscopic systems interacting via long-range interactions. By making precise the definition of thermal operations, the laws of thermodynamics are unified in this framework, with the first law defining the class of operations, the zeroth law emerging as an equivalence relation between thermal states, and the remaining laws being monotonicity of our generalized free energies.

Clearly understanding elementary growth processes that depend on surface reconstruction is essential to controlling vapor-phase epitaxy more precisely. In this study, ammonia chemical adsorption on GaN(0001) reconstructed surfaces under metalorganic vapor phase epitaxy (MOVPE) conditions (3Ga-H and Nad-H + Ga-H on a 2 × 2 unit cell) is investigated using steepest-entropy-ascent quantum thermodynamics (SEAQT). SEAQT is a thermodynamic-ensemble based, first-principles framework that can predict the behavior of non-equilibrium processes, even those far from equilibrium where the state evolution is a combination of reversible and irreversible dynamics. SEAQT is an ideal choice to handle this problem on a first-principles basis since the chemical adsorption process starts from a highly non-equilibrium state. A result of the analysis shows that the probability of adsorption on 3Ga-H is significantly higher than that on Nad-H + Ga-H. Additionally, the growth temperature dependence of these adsorption probabilities and the temperature increase due to the heat of reaction is determined. The non-equilibrium thermodynamic modeling applied can lead to better control of the MOVPE process through the selection of preferable reconstructed surfaces. The modeling also demonstrates the efficacy of DFT-SEAQT coupling for determining detailed non-equilibrium process characteristics with a much smaller computational burden than would be entailed with mechanics-based, microscopic-mesoscopic approaches.

The Bloch equation which first inspired the field of open quantum systems, was conceived by pure physical reasoning. Since then, the Lindblad (GKLS) form of a quantum master equation, its most general mathematical representation, became an established staple in the open quantum systems toolbox. It allows the description of a multitude of quantum phenomena, however its universality comes at a cost—without additional constraints, the resultant dynamics are not necessarily thermodynamically consistent, and the equation itself lacks an intuitive interpretation. We present a mathematically equivalent form of the Lindblad master equation under a single constraint of strict energy conservation, which reinstates physical intuition, separating the system dynamics into its elemental parts: thermal mixing, dephasing, and energy relaxation. The analytical capabilities of the formalism are illustrated by calculating the fixed point of the dynamics and exploring the conditions for canonical invariance in quantum systems.