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# Diverse phenomena, common themes

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Article
Cross phenomena, representing responses of a system to external stimuli, are ubiquitous from quantum to macro scales. The Onsager theorem is often used to describe them, stating that the coefficient matrix of cross phenomena connecting the driving forces and the fluxes of internal processes is symmetric. Here we show that this matrix is intrinsically diagonal when the driving forces are chosen from the gradients of potentials that drive the fluxes of their respective conjugate molar quantities in the combined law of thermodynamics including the contributions from internal processes. Various cross phenomena are discussed in terms of the present theory.
Article
Temperature is a well-defined quantity for systems in equilibrium. For glassy systems, it has been extended to the non-equilibrium regime, showing up as an effective quantity in a modified version of the fluctuation-dissipation theorem. However, experimental evidence supporting this definition remains scarce. Here, we present the first direct experimental demonstration of the effective temperature by measuring correlations and responses in single molecules in non-equilibrium steady states generated under external random forces. We combine experiment, analytical theory and simulations for systems with different levels of complexity, ranging from a single bead in an optical trap to two-state and multiple-state DNA hairpins. From these data, we extract a unifying picture for the existence of an effective temperature based on the relative order of various timescales characterizing intrinsic relaxation and external driving. Our study thus introduces driven small systems as a fertile ground to address fundamental concepts in statistical physics, condensed-matter physics and biophysics.
Article
The question of deriving general force/flux relationships that apply out of the linear response regime is a central topic of theories for nonequilibrium statistical mechanics. This work traces models for force/flux relations from early through modern theories of stochastic thermodynamics to show that the form of response theories in driven, nonequilibrium transient dynamics and their symmetries are essentially solved problems. We find agreement between three different approaches: the projector-operator and fluctuation-dissipation theorem, the fluctuation theorem and chaotic hypothesis, and finally a simple maximum entropy approach combining ideas from Jaynes with large deviation theory. The points of agreement emphasize the importance of working with transition distributions. Our comparison is illustrated by extensive numerical simulations of the periodic Lorentz gas (Galton board) and {\alpha}-Fermi-Pasta-Ulam chains, two paradigmatic problems in nonequilibrium statistical mechanics. Both are started from transient initial conditions and evolved under constant driving forces. We have phrased the comparison in such a way that it is actually simpler to work in nonlinear regimes without steady-states. Outstanding areas of debate between the approaches, related to existence and use of steady-states, how to define appropriate coarse-grained coordinates, and how to interpret the dissipation function, do not alter the main conclusion.
Article
The ultimate precision of any measurement of the temperature of a quantum system is the inverse of the local quantum thermal susceptibility [De Pasquale et al., Nature Communications 7, 12782 (2016)] of the subsystem with whom the thermometer interacts. If we have access to the global system, in a thermal (Gibbs) state, such quantity reduces to the variance of the system Hamiltonian, endowed with clear thermodynamical interpretation: it corresponds to the heat capacity of the system. In this work we explicitly extend such correspondence to a generic subpart of a locally interacting quantum system. We prove that the local quantum thermal susceptibility is close to the variance of its local Hamiltonian, provided the volume to surface ratio of the subsystem is much larger than the correlation length. This result greatly simplifies the determination of the ultimate precision of any local estimate of the temperature, and rigorously determines the regime where interactions can affect this precision.
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In this article, by considering Bell-diagonal two-qubit initial states submitted to local dynamics generated by the phase damping, bit flip, phase flip, bit-phase flip, and depolarizing channels, we report some elegant direct-dynamical relations between geometric measures of entanglement and discord. The complex scenario appearing already in this simplified case study indicates that similarly simple relation shall hardly be found in more general situations.
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When at equilibrium, large-scale systems obey thermodynamics because they have microscopic configurations that are typical. “Typical” states are a fraction of those possible with the majority of the probability. A more precise definition of typical states underlies the transmission, coding, and compression of information. However, this definition does not apply to natural systems that are transiently away from equilibrium. Here, we introduce a variational measure of typicality and apply it to atomistic simulations of a model for hydrogen oxidation. While a gaseous mixture of hydrogen and oxygen combusts, reactant molecules transform through a variety of ephemeral species en route to the product, water. Out of the exponentially growing number of possible sequences of chemical species, we find that greater than 95% of the probability concentrates in less than 1% of the possible sequences. Overall, these results extend the notion of typicality across the nonequilibrium regime and suggest that typical sequences are a route to learning mechanisms from experimental measurements. They also open up the possibility of constructing ensembles for computing the macroscopic observables of systems out of equilibrium.
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The necessity and utility of considering the interaction of a quantum system with its environment when describing its time evolution have been recognized in several branches of physics and of other sciences. The Kraus' representation is a general and succinct approach to describe such open system dynamics in a wide range of relevant physical scenarios. In this article, by abdicating from the generality of the formalism of quantum operations and with this avoiding its associated complications, we show in a simple manner how we can obtain the Kraus' representation using basically the closed system (system plus environment) unitary dynamics and the partial trace function. The example of a two-level atom interacting with the vacuum of the electromagnetic field is regarded for the sake of instantiating this formalism, which is then applied to study the time evolution of the atom's quantum coherence.
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We discuss a qubit weakly coupled to a finite-size heat bath (calorimeter) from the point of view of quantum thermodynamics. The energy deposited to this environment together with the state of the qubit provides a basis to analyze the heat and work statistics of this closed combined system. We present results on two representative models, where the bath is composed of two-level systems or harmonic oscillators, respectively. Finally, we derive results for an open quantum system composed of the above qubit plus finite-size bath, but now the latter is coupled to a practically infinite bath of the same nature of oscillators or two-level systems.
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The Carnot cycle and its deduction of maximum conversion efficiency of heat inputted and outputted isothermally at different temperatures necessitated the construction of isothermal and adiabatic pathways within the cycle that were mechanically "reversible", leading eventually to the Kelvin-Clausius development of the entropy function [Formula: see text] with differential [Formula: see text] such that [Formula: see text] where the heat absorption occurs at the isothermal paths of the elementary Carnot cycle. Another required condition is that the heat transfer processes take place infinitely slowly and "reversibly", implying that rates of transfer are not explicitly featured in the theory. The definition of 'heat' as that form of energy that is transferred as a result of a temperature difference suggests that the local mode of transfer of "heat" in the isothermal segments of the pathway implies a Fourier-like heat conduction mechanism which is apparently irreversible, leading to an increase in entropy of the combined reservoirs at either end of the conducting material, and which is deemed reversible mechanically. These paradoxes are circumvented here by first clarifying the terms used before modeling heat transfer as a thermodynamically reversible but mechanically irreversible process and applied to a one dimensional atomic lattice chain of interacting particles subjected to a temperature difference exemplifying Fourier heat conduction. The basis of a "recoverable trajectory" i.e. that which follows a zero entropy trajectory is identified. The Second Law is strictly maintained in this development. A corollary to this zero entropy trajectory is the generalization of the Zeroth law for steady state non-equilibrium systems with varying temperature, and thus to a statement about "equilibrium" in steady state non-thermostatic conditions. An energy transfer rate term is explicitly identified for each particle and agrees quantitatively (and independently) with the rate of heat absorbed at the reservoirs held at different temperatures and located at the two ends of the lattice chain in MD simulations, where all energy terms in the simulation refer to a single particle interacting with its neighbors. These results validate the theoretical model and provides the necessary boundary conditions (for instance with regard to temperature differentials and force fields) that thermodynamical variables must comply with to satisfy the conditions for a recoverable trajectory, and thus determines the solution of the differential and integral equations that are used to model these processes. These developments and results, if fully pursued would imply that not only can the Carnot cycle be viewed as describing a local process of energy-work conversion by a single interacting particle which feature rates of energy transfer and conversion not possible in the classical Carnot development, but that even irreversible local processes might be brought within the scope of this cycle, implying a unified treatment of thermodynamically (i) irreversible (ii) reversible (iii) isothermal and (iv) adiabatic processes by conflating the classically distinct concept of work and heat energy into a single particle interactional process. A resolution to the fundamental and long-standing conjecture of Benofy and Quay concerning the Fourier principle is one consequence of the analysis.
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Fluctuation theorems are symmetry relations for the probability to observe an amount of entropy production in a finite-time process. In a recent paper Pigeon et al (2016 New. J. Phys. 18 013009) derived fluctuation theorems for harmonic networks by means of the large deviation theory. Their novel approach is illustrated with various examples of experimentally relevant systems. As a main result, however, Pigeon et al provide new insight how to consistently formulate quantum stochastic thermodynamics, and provide new and robust tools for the study of the thermodynamics of quantum harmonic networks.
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The assembly of monomeric constituents into molecular superstructures through sequential-arrival processes has been simulated and theoretically characterized. When the energetic interactions allow for complete overlap of the particles, the model is equivalent to that of the sequential absorption of soft particles on a surface. In the present work, we consider more general cases by including arbitrary aggregating geometries and varying prescriptions of the connectivity network. The resulting theory accounts for the evolution and final-state configurations through a system of equations governing structural generation. We find that particle geometries differ significantly from those in equilibrium. In particular, variations of structural rigidity and morphology tune particle energetics and result in significant variation in the nonequilibrium distributions of the assembly in comparison to the corresponding equilibrium case.
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Full-text available
The necessity and usefulness of considering the interaction of a quantum system with the environment when describing its time evolution have been recognized in several branches of physics and of other sciences. The Kraus' representation is a general and succinct approach to describe such open system dynamics in a wide range of relevant physical scenarios. In this article, by abdicating from the generality of the formalism of quantum operations and thus avoiding its associated complications, we show in a simple manner how one can obtain the Kraus representation using basically the closed system (system plus environment) unitary dynamics and the partial trace function. The example of a two-level atom interacting with the vacuum of the electromagnetic field is regarded for the sake of instantiating this formalism, which is then applied to study the time evolution of the atom's quantum coherence.
Article
A theory is developed to describe the coupled transport of energy and charge in networks of electron donor-acceptor sites which are seated in a thermally heterogeneous environment, where the transfer kinetics are dominated by Marcus-type hopping rates. It is found that the coupling of heat and charge transfer in such systems gives rise to exotic transport phenomena which are absent in thermally homogeneous systems and cannot be described by standard thermoelectric relations. Specifically, the directionality and extent of thermal transistor amplification and cyclical electronic currents in a given network can be controlled by tuning the underlying temperature gradient in the system. The application of these findings toward the optimal control of multithermal currents is illustrated on a paradigmatic nanostructure.
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Full-text available
The numerical generation of random quantum states (RQS) is an important procedure for investigations in quantum information science. Here we review some methods that may be used for performing that task. We start by presenting a simple procedure for generating random state vectors, for which the main tool is the random sampling of unbiased discrete probability distributions (DPD). Afterwards the creation of random density matrices is addressed. In this context we first present the standard method, which consists in using the spectral decomposition of a quantum state for getting RQS from random DPDs and random unitary matrices. In the sequence the Bloch vector parametrization method is described. This approach, despite being useful in several instances, is not in general convenient for RQS generation. In the last part of the article we regard the overparametrized method (OPM) and the related Ginibre and Bures techniques. The OPM can be used to create random positive semidefinite matrices with unit trace from randomly produced general complex matrices in a simple way that is friendly for numerical implementations. We consider a physically relevant issue related to the possible domains that may be used for the real and imaginary parts of the elements of such general complex matrices. Subsequently a too fast concentration of measure in the quantum state space that appears in this parametrization is noticed.
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We define the entropy operator as the negative of the logarithm of the density matrix, give a prescription for extracting its thermodynamically measurable part, and discuss its dynamics. An expression for the long time limit of the expectation value of the rate of change of the thermodynamically measurable part of the entropy operator is derived and interpreted in terms of entropy production and entropy transport terms. The interpretation is justified by comparison to the known expression for the entropy production in an aged classical Markovian system with Gaussian fluctuations and by a calculation of the current-induced entropy production in a conductor with electron-phonon scattering.
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A shortcut to adiabaticity is a finite-time process that produces the same final state as would result from infinitely slow driving. We show that such shortcuts can be found for weak perturbations from linear response theory. With the help of phenomenological response functions a simple expression for the excess work is found -- quantifying the nonequilibrium excitations. For two specific examples, the quantum parametric oscillator and the spin-1/2 in a time-dependent magnetic field, we show that finite-time zeros of the excess work indicate the existence of shortcuts. Finally, we propose a degenerate family of protocols, which facilitate shortcuts to adiabaticity for specific and very short driving times.
Article
The energy of a molecule subject to a time-dependent perturbation separates completely into adiabatic and non-adiabatic terms, where the adiabatic term reflects the adjustment of the ground state to the perturbation, while the non-adiabatic term accounts for the transition energy [A. Mandal and K. L. C. Hunt, J. Chem. Phys. 137, 164109 (2012)]. For a molecule perturbed by a time-dependent electromagnetic field, in this work, we show that the expectation value of the power absorbed by the molecule is equal to the time rate of change of the non-adiabatic term in the energy. The non-adiabatic term is given by the transition probability to an excited state k, multiplied by the transition energy from the ground state to k, and then summed over the excited states. The expectation value of the power absorbed by the molecule is derived from the integral over space of the scalar product of the applied electric field and the non-adiabatic current density induced in the molecule by the field. No net power is absorbed due to the action of the applied electric field on the adiabatic current density. The work done on the molecule by the applied field is the time integral of the power absorbed. The result established here shows that work done on the molecule by the applied field changes the populations of the molecular states.
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The quantum Jarzynski equality is an important theorem of modern quantum thermodynamics. We show that the Jarzynski equality readily generalizes to relativistic quantum mechanics described by the Dirac equation. After establishing the conceptual framework we solve a pedagogical, yet experimentally relevant, system analytically. As a main result we obtain the exact quantum work distributions for charged particles traveling through a time-dependent vector potential evolving under Schr\"odinger as well as under Dirac dynamics, and for which the Jarzynski equality is verified. Special emphasis is put on the conceptual and technical subtleties arising from relativistic quantum mechanics.
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In bipartite quantum systems commutation relations between the Hamiltonian of each subsystem and the interaction impose fundamental constraints on the dynamics of each partition. Here we investigate work, heat and entropy production in bipartite systems characterized by particular commutators between their local Hamiltonians and the interaction operator. We consider the formalism of [Weimer, EPL, 83:30008, 2008], in which heat (work) is identified with energy changes that (do not) alter the local von Neumann entropy, as observed in an effective local measurement basis. We demonstrate the consequences of the commutation relations on the work and heat fluxes into each partition, and extend the formalism to open quantum systems where one, or both, partitions are subject to a Markovian thermal bath. We also discuss the relation between heat and entropy in bipartite quantum systems out of thermal equilibrium, and reconcile the aforementioned approach with the second law of thermodynamics.
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Under the Eigenstate Thermalization Hypothesis (ETH), quantum-quenched systems equilibrate towards canonical, thermal ensembles. While at first glance the ETH might seem a very strong hypothesis, we show that it is indeed not only sufficient but also necessary for thermalization. More specifically, we consider systems coupled to baths with well-defined macroscopic temperature and show that whenever all product states thermalize then the ETH must hold. Our result definitively settles the question of determining whether a quantum system has a thermal behaviour, reducing it to checking whether its Hamiltonian satisfies the ETH.
Research
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The numerical generation of pseudo-random quantum states is an important procedure for in- vestigations in quantum information science. In general, this endeavor requires from the beginning some kind of parametrization for the density matrices. The overparametrized method can be used to create pseudo-random positive semidefinite matrices with unit trace from pseudo-randomly pro- duced general complex matrices in a simple way that is friendly for numerical implementations. In this article we first discuss a relevant issue related to the possible domains that may be used for the real and imaginary parts of the elements of such general complex matrices. Afterwards the problem of a too fast concentration of measure in the quantum state space that appears in this parametrization is reported. Our results show that care must be taken when using this method and also that it is not in general a sensible choice if one wants a reasonably fair sampling in the space of density matrices.
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We analyze theoretically the measurement of the mean output work and its fluctuations in a recently proposed optomechanical quantum heat engine [K. Zhang {\it et al.} Phys. Rev. Lett. {\bf112}, 150602 (2014)]. After showing that this work can be evaluated by a continuous measurements of the intracavity photon number we discuss both dispersive and absorptive measurement schemes and analyze their back-action effects on the efficiency of the engine. Both measurements are found to reduce the efficiency of the engine, but their back-action is both qualitatively and quantitatively different. For dispersive measurements the efficiency decreases as a result of the mixing of photonic and phononic excitations, while for absorptive measurements, its reduction results from photon losses due to the interaction with the quantum probe.
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Some physical processes, including the intensity fluctuations of a chaotic laser, the detection of single photons, and the Brownian motion of a microscopic particle in a fluid are unpredictable, at least on long timescales. This unpredictability can be due to a variety of physical mechanisms, but it is quantified by an entropy rate. This rate describes how quickly a system produces new and random information, is fundamentally important in statistical mechanics and practically important for random number generation. We experimentally study entropy generation and the emergence of deterministic chaotic dynamics from discrete noise in a system that applies feedback to a weak optical signal at the single-photon level. We show that the dynamics qualitatively change from shot noise to chaos as the photon rate increases, and that the entropy rate can reflect either the deterministic or noisy aspects of the system depending on the sampling rate and resolution.
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According to the van der Waals picture, attractive and repulsive forces play distinct roles in the structure of simple fluids. Here, we examine their roles in dynamics; specifically, in the degree of deterministic chaos using the Kolmogorov-Sinai (KS) entropy rate and the spectra of Lyapunov exponents. With computer simulations of three-dimensional Lennard-Jones and Weeks-Chandler-Andersen fluids, we find repulsive forces dictate these dynamical properties, with attractive forces reducing the KS entropy at a given thermodynamic state. Regardless of interparticle forces, the maximal Lyapunov exponent is intensive for systems ranging from 200 to 2000 particles. Our finite-size scaling analysis also shows that the KS entropy is both extensive (a linear function of system-size) and additive. Both temperature and density control the “dynamical chemical potential,” the rate of linear growth of the KS entropy with system size. At fixed system-size, both the KS entropy and the largest exponent exhibit a maximum as a function of density. We attribute the maxima to the competition between two effects: as particles are forced to be in closer proximity, there is an enhancement from the sharp curvature of the repulsive potential and a suppression from the diminishing free volume and particle mobility. The extensivity and additivity of the KS entropy and the intensivity of the largest Lyapunov exponent, however, hold over a range of temperatures and densities across the liquid and liquid-vapor coexistence regimes.
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The mechanisms that control cell fate behaviour during development, and the factors leading to their dysregulation in disease, remain the subject of interest and debate. Lately, advances in single-cell genomics have shifted emphasis towards the elucidation of molecular regulatory programmes and transcriptional cell states. However, quantitative statistical approaches based on cell lineage tracing data have provided fresh insight into stem and progenitor cell behaviour, questioning the role of cell fate stochasticity, transcriptional heterogeneity and state priming. These investigations, which draw upon conceptual insights from statistical physics and mathematics, provide a novel, generic and rigorous framework to resolve and classify stem cell self-renewal strategies, which heavily constrain, but do not seek to define, underlying molecular mechanistic programmes. Here, using epithelial maintenance as an exemplar, we consider the foundation, conceptual basis, utility and limitations of such quantitative approaches in cell biology.
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In this dissertation, we analyze equilibrium and out-of-equilibrium quantum phase transitions present in quantum spin-$\frac{1}{2}$ models, using a quantum information approach through quantum correlations and phase space formalism, and a quantum thermodynamic approach through the work statistics formalism.
Preprint
This book provides an introduction to the emerging field of quantum thermodynamics, with particular focus on its relation to quantum information and its implications for quantum computers and next generation quantum technologies. The text, aimed at graduate level physics students with a working knowledge of quantum mechanics and statistical physics, provides a brief overview of the development of classical thermodynamics and its quantum formulation in Chapter 1. Chapter 2 then explores typical thermodynamic settings, such as cycles and work extraction protocols, when the working material is genuinely quantum. Finally, Chapter 3 explores the thermodynamics of quantum information processing and introduces the reader to some more state-of-the-art topics in this exciting and rapidly developing research field.
Preprint
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Cross phenomena, representing responses of a system to external stimuli, are ubiquitous from quantum to macro scale. The Onsager theorem is often used to describe them, stating that the coefficient matrix of cross phenomena connecting the driving forces and the fluxes of internal processes is symmetric. Here we show that this matrix is intrinsically diagonal when the driving forces are chosen from the gradients of potentials that drive the fluxes of their respective conjugate molar quantities in the combined law of thermodynamics including the contributions from internal processes. Various cross phenomena are discussed in terms of the present theory.
Article
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It has been established that the inclusive work for classical, Hamiltonian dynamics is equivalent to the two-time energy measurement paradigm in isolated quantum systems. However, a plethora of other notions of quantum work has emerged, and thus the natural question arises whether any other quantum notion can provide motivation for purely classical considerations. In the present analysis, we propose the conditional stochastic work for classical, Hamiltonian dynamics, which is inspired by the one-time measurement approach. This novel notion is built upon the change of expectation value of the energy conditioned on the initial energy surface. As main results, we obtain a generalized Jarzynski equality and a sharper maximum work theorem, which account for how non-adiabatic the process is. Our findings are illustrated with the parametric harmonic oscillator.
Preprint
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Until now, the second law of thermodynamics is not formulated for a single (deterministic and time-symmetric) microscopic trajectory. Here, such a formulation is suggested by introducing information as a full-valuable physical quantity defining (a) microscopic entropy and (b) information difference between an observed process and its time reverse. (a)+(b) then form the second law and imply that macroscopic irreversibility and mesoscopic stochasticity are relative phenomena depending on the used information reference frame. The results provide fundamental insights for further applications in microphysics (informational engines, quantum computing, etc.).
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The discovery of multiple coexisting magnetic phases in the crystallographically homogeneous compound Ca3Co2O6 has stimulated ongoing research activity. In recent years the main focus has been on the zero-field-state properties, where exceedingly long timescales have been established. In this study we report a detailed investigation of static and dynamic properties of Ca3Co2O6 across the magnetic field induced transition around 3.5 T. This region has so far been practically neglected, while we argue that in some aspects it represents a simpler version of the transition across the B=0 state. Investigating the frequency dependence of the ac susceptibility, we reveal that on the high-field side (B>3.5 T) the response corresponds to a relatively narrow distribution of magnetic clusters. The distribution appears very weakly dependent on magnetic field, with an associated energy barrier of around 200 K. Below 3.5 T a second contribution arises, with much smaller characteristic frequencies and a strong temperature and magnetic field dependence. We discuss these findings in the context of intrachain and interchain clustering of magnetic moments.
Preprint
It has been established that the inclusive work for classical, Hamiltonian dynamics is equivalent to the two-time energy measurement paradigm in isolated quantum systems. However, a plethora of other notions of quantum work has emerged, and thus the natural question arises whether any other quantum notion can provide motivation for purely classical considerations. In the present analysis, we propose the conditional stochastic work for classical, Hamiltonian dynamics, which is inspired by the one-time measurement approach. This novel notion is built upon the change of expectation value of the energy conditioned on the initial energy surface. As main results we obtain a generalized Jarzynski equality and a sharper maximum work theorem, which account for how non-adiabatic the process is. Our findings are illustrated with the parametric harmonic oscillator.
Preprint
The discovery of multiple coexisting magnetic phases in a crystallographically homogeneous compound Ca$_3$Co$_2$O$_6$ has stimulated an ongoing research activity. In recent years the main focus has been on the zero field state properties, where exceedingly long time scales have been established. In this study we report a detailed investigation of static and dynamic properties of Ca$_3$Co$_2$O$_6$ across the magnetic field induced transition around 3.5 T. This region has so far been practically neglected while we argue that in some aspects it represents a simpler version of the transition across the $B = 0$ state. Investigating the frequency dependence of the ac susceptibility we reveal that on the high field side ($B > 3.5$ T) the response corresponds to a relatively narrow distribution of magnetic clusters. The distribution appears very weakly dependent on magnetic field, with an associated energy barrier of around 200 K. Below 3.5 T a second contribution arises, with much smaller characteristic frequencies and a strong temperature and magnetic field dependence. We discuss these findings in the context of intra-chain and inter-chain clustering of magnetic moments.
Preprint
We study the first-order flocking transition of birds flying in low-visibility conditions by employing three different representative types of neural network (NN) based machine learning architectures that are trained via either an unsupervised learning approach called "learning by confusion" or a widely used supervised learning approach. We find that after the training via either the unsupervised learning approach or the supervised learning one, all of these three different representative types of NNs, namely, the fully-connected NN, the convolutional NN, and the residual NN, are able to successfully identify the first-order flocking transition point of this nonequilibrium many-body system. This indicates that NN based machine learning can be employed as a promising generic tool to investigate rich physics in scenarios associated to first-order phase transitions and nonequilibrium many-body systems.
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An important goal of self-assembly research is to develop a general methodology applicable to almost any material, from the smallest to the largest scales, whereby qualitatively identical results are obtained independently of initial conditions, size, shape and function of the constituents. Here, we introduce a dissipative self-assembly methodology demonstrated on a diverse spectrum of materials, from simple, passive, identical quantum dots (a few hundred atoms) that experience extreme Brownian motion, to complex, active, non-identical human cells (~1017 atoms) with sophisticated internal dynamics. Autocatalytic growth curves of the self-assembled aggregates are shown to scale identically, and interface fluctuations of growing aggregates obey the universal Tracy–Widom law. Example applications for nanoscience and biotechnology are further provided. Biological systems are able to self-assemble in non-equilibrium conditions thanks to a continuous injection of energy. Here the authors present a tool to achieve non-equilibrium self-assembly of synthetic and biological constituents with sizes spanning three orders of magnitude.
Preprint
A theory is developed to describe the coupled transport of energy and charge in networks of electron donor-acceptor sites which are seated in a thermally heterogeneous environment, where the transfer kinetics are dominated by Marcus-type hopping rates. It is found that the coupling of heat and charge transfer in such systems gives rise to exotic transport phenomena which are absent in thermally homogeneous systems and cannot be described by standard thermoelectric relations. Specifically, the directionality and extent of thermal transistor amplification and cyclical electronic currents in a given network can be controlled by tuning the underlying temperature gradient in the system. The application of these findings toward optimal control of multithermal currents is illustrated on a paradigmatic nanostructure.
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The physics of active systems of self-propelled particles, in the regime of a dense liquid state, is an open puzzle of great current interest, both for statistical physics and because such systems appear in many biological contexts. We develop a nonequilibrium mode-coupling theory (MCT) for such systems, where activity is included as a colored noise with the particles having a self-propulsion foce $f_0$ and persistence time $\tau_p$. Using the extended MCT and a generalized fluctuation-dissipation theorem, we calculate the effective temperature $T_{eff}$ of the active fluid. The nonequilibrium nature of the systems is manifested through a time-dependent $T_{eff}$ that approaches a constant in the long-time limit, which depends on the activity parameters $f_0$ and $\tau_p$. We find, phenomenologically, that this long-time limit is captured by the potential energy of a single, trapped active particle (STAP). Through a scaling analysis close to the MCT glass transition point, we show that $\tau_\alpha$, the $\alpha$-relaxation time, behaves as $\tau_\alpha\sim f_0^{-2\gamma}$, where $\gamma=1.74$ is the MCT exponent for the passive system. $\tau_\alpha$ may increase or decrease as a function of $\tau_p$ depending on the type of active force correlations, but the behavior is always governed by the same value of the exponent $\gamma$. Comparison with numerical solution of the nonequilibrium MCT as well as simulation results give excellent agreement with the scaling analysis.
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Modern macroeconomic theories were unable to foresee the last Great Recession and could neither predict its prolonged duration nor the recovery rate. They are based on supply−demand equilibria that do not exist during recessionary shocks. Here we focus on resilience as a nonequilibrium property of networked production systems and develop a linear response theory for input−output economics. By calibrating the framework to data from 56 industrial sectors in 43 countries between 2000 and 2014, we find that the susceptibility of individual industrial sectors to economic shocks varies greatly across countries, sectors, and time. We show that susceptibility-based growth predictions that take sector- and country-specific recovery into account, outperform—by far—standard econometric models. Our results are analytically rigorous, empirically testable, and flexible enough to address policy-relevant scenarios. We illustrate the latter by estimating the impact of recently imposed tariffs on US imports (steel and aluminum) on specific sectors across European countries.
Preprint
Modern macroeconomic theories were unable to foresee the last Great Recession and could neither predict its prolonged duration nor the recovery rate. They are based on supply-demand equilibria that do not exist during recessionary shocks. Here we focus on resilience as a nonequilibrium property of networked production systems and develop a linear response theory for input-output economics. By calibrating the framework to data from 56 industrial sectors in 43 countries between 2000 and 2014, we find that the susceptibility of individual industrial sectors to economic shocks varies greatly across countries, sectors, and time. We show that susceptibility-based predictions that take sector- and country-specific recovery into account, outperform--by far--standard econometric growth-models. Our results are analytically rigorous, empirically testable, and flexible enough to address policy-relevant scenarios. We illustrate the latter by estimating the impact of recently imposed tariffs on US imports (steel and aluminum) on specific sectors across European countries.
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Near term quantum hardware promises unprecedented computational advantage. Crucial in its development is the characterization and minimization of computational errors. We propose the use of the quantum fluctuation theorem to benchmark the accuracy of quantum annealers. This versatile tool provides simple means to determine whether the quantum dynamics are unital, unitary, and adiabatic, or whether the system is prone to thermal noise. Our proposal is experimentally tested on two generations of the D-Wave machine, which illustrates the sensitivity of the fluctuation theorem to the smallest aberrations from ideal annealing. In addition, for the optimally operating D-Wave machine, our experiment provides the first experimental verification of the integral fluctuation in an interacting, many-body quantum system.
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The explosion limits of hydrogen-oxygen mixtures are macroscopic, temperature-pressure boundaries that divide the overall chemistry of hydrogen oxidation into slow-burning and explosive regimes. Here, we demonstrate that it is possible to recover the three chemical explosion limits of H$_2$/O$_2$ mixtures from nonequilibrium stochastic trajectories. This demonstration relies on the finding that, in explosive regimes, these trajectories have the quantitative features of a dynamical phase transition. Through computer simulations for both a generic and a reduced model for hydrogen oxidation, we find only one dominant reactive phase at temperatures below the explosion limits. At temperatures above the limits, however, a second phase transiently emerges from the chemistry. By locating the pseudo-critical temperature where two reactive phases are distinguishable, we construct all three explosion-limit boundaries for model hydrogen-oxygen mixtures of finite size.
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The non-equilibrium dynamics of quantum many-body systems is one of the most fascinating problems in physics. Open questions range from how they relax to equilibrium to how to extract useful work from them. A critical point lies in assessing whether a system has conserved quantities (or 'charges'), as these can drastically influence its dynamics. Here we propose a general protocol to reveal the existence of charges based on a set of exact relations between out-of-equilibrium fluctuations and equilibrium properties of a quantum system. We apply these generalised quantum fluctuation relations to a driven quantum simulator, demonstrating their relevance to obtain unbiased temperature estimates from non-equilibrium measurements. Our findings will help guide research on the interplay of quantum and thermal fluctuations in quantum simulation, in studying the transition from integrability to chaos and in the design of new quantum devices.
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Classical thermodynamics is built with the concept of equilibrium states. However, it is less clear how equilibrium thermodynamics emerges through dynamics that follows the principle of quantum mechanics. In this paper, we develop a theory to study nonequilibrium thermodynamics of quantum systems which is applicable to arbitrary small systems, even for a single particle system, in contact with a reservoir. We generalize the concept of temperature beyond equilibrium that depends on the details of quantum states of the system and their dynamics. This nonequilibrium theory for quantum thermodynamics unravels (1) the emergence of classical thermodynamics from quantum dynamics of a single particle system in the weak system-reservoir coupling regime, without introducing any hypothesis on equilibrium state; (2) the breakdown of classical thermodynamics in the strong coupling regime, induced by non-Markovian memory dynamics; and (3) the occurrence of negative temperature associated with a dynamical quantum phase transition. The corresponding dynamical criticality provides the border separating the classical and quantum thermodynamics, and it may also reveal the origin of universe inflation. The third law of thermodynamics, allocated in the deep quantum realm, is also proved in this theory.
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We show that a bounded, isolated quantum system of many particles in a specific initial state will approach thermal equilibrium if the energy eigenfunctions which are superposed to form that state obey {\it Berry's conjecture}. Berry's conjecture is expected to hold only if the corresponding classical system is chaotic, and essentially states that the energy eigenfunctions behave as if they were gaussian random variables. We review the existing evidence, and show that previously neglected effects substantially strengthen the case for Berry's conjecture. We study a rarefied hard-sphere gas as an explicit example of a many-body system which is known to be classically chaotic, and show that an energy eigenstate which obeys Berry's conjecture predicts a Maxwell--Boltzmann, Bose--Einstein, or Fermi--Dirac distribution for the momentum of each constituent particle, depending on whether the wave functions are taken to be nonsymmetric, completely symmetric, or completely antisymmetric functions of the positions of the particles. We call this phenomenon {\it eigenstate thermalization}. We show that a generic initial state will approach thermal equilibrium at least as fast as $O(\hbar/\Delta)t^{-1}$, where $\Delta$ is the uncertainty in the total energy of the gas. This result holds for an individual initial state; in contrast to the classical theory, no averaging over an ensemble of initial states is needed. We argue that these results constitute a new foundation for quantum statistical mechanics. Comment: 28 pages in Plain TeX plus 2 uuencoded PS figures (included); minor corrections only, this version will be published in Phys. Rev. E; UCSB-TH-94-10
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