Microscopic Cutoff Dependence of an Entropic Force in Interface Propagation of Stochastic Order Parameter Dynamics.

The steady propagation of a (d-1)-dimensional planer interface in d-dimensional space is studied by analyzing mesoscopic nonconserved order parameter dynamics with two local minima under the influence of thermal noise. In this analysis, an entropic force generating interface propagation is formulated using a perturbation method. It is found that the entropic force singularly depends on an ultraviolet cutoff when d≥2. The theoretical calculation is confirmed by numerical simulations with d=2. The result means that an experimental measurement of the entropic force provides an estimation of the microscopic cutoff of the mesoscopic description.

Heat-Induced Liquid Hovering in Liquid-Gas Coexistence under Gravity.

We study a liquid-gas coexistence system in a container under gravity with heat flow in the direction opposite to gravity. By molecular dynamics simulation, we find that the liquid buoys up and continues to float steadily. The height at which the liquid floats is determined by a dimensionless parameter related to the ratio of the temperature gradient to gravity. We confirm that supercooled gas remains stable above the liquid. We provide a phenomenological argument for explaining the phenomenon from a simple thermodynamic assumption.

Divergent Stiffness of One-Dimensional Growing Interfaces.

When a spatially localized stress is applied to a growing one-dimensional interface, the interface deforms. This deformation is described by the effective surface tension representing the stiffness of the interface. We present that the stiffness exhibits divergent behavior in the large system size limit for a growing interface with thermal noise, which has never been observed for equilibrium interfaces. Furthermore, by connecting the effective surface tension with a space-time correlation function, we elucidate the mechanism that anomalous dynamical fluctuations lead to divergent stiffness.

Thermodynamic Bounds on Correlation Times.

We derive a variational expression for the correlation time of physical observables in steady-state diffusive systems. As a consequence of this variational expression, we obtain lower bounds on the correlation time, which provide speed limits on the self-averaging of observables. In equilibrium, the bound takes the form of a trade-off relation between the long- and short-time fluctuations of an observable. Out of equilibrium, the trade-off can be violated, leading to an acceleration of self-averaging. We relate this violation to the steady-state entropy production rate, as well as the geometric structure of the irreversible currents, giving rise to two complementary speed limits. One of these can be formulated as a lower estimate on the entropy production from the measurement of time-symmetric observables. Using an illustrating example, we show the intricate behavior of the correlation time out of equilibrium for different classes of observables and how this can be used to partially infer dissipation even if no time-reversal symmetry breaking can be observed in the trajectories of the observable.

Control of Metastable States by Heat Flux in the Hamiltonian Potts Model.

The local equilibrium thermodynamics is a basic assumption of macroscopic descriptions of the out of equilibrium dynamics for Hamiltonian systems. We numerically analyze the Hamiltonian Potts model in two dimensions to study the violation of the assumption for phase coexistence in heat conduction. We observe that the temperature of the interface between ordered and disordered states deviates from the equilibrium transition temperature, indicating that metastable states at equilibrium are stabilized by the influence of a heat flux. We also find that the deviation is described by the formula proposed in an extended framework of the thermodynamics.

Fluctuation-response inequality out of equilibrium.

We present an approach to response around arbitrary out-of-equilibrium states in the form of a fluctuation-response inequality (FRI). We study the response of an observable to a perturbation of the underlying stochastic dynamics. We find that the magnitude of the response is bounded from above by the fluctuations of the observable in the unperturbed system and the Kullback-Leibler divergence between the probability densities describing the perturbed and the unperturbed system. This establishes a connection between linear response and concepts of information theory. We show that in many physical situations, the relative entropy may be expressed in terms of physical observables. As a direct consequence of this FRI, we show that for steady-state particle transport, the differential mobility is bounded by the diffusivity. For a "virtual" perturbation proportional to the local mean velocity, we recover the thermodynamic uncertainty relation (TUR) for steady-state transport processes. Finally, we use the FRI to derive a generalization of the uncertainty relation to arbitrary dynamics, which involves higher-order cumulants of the observable. We provide an explicit example, in which the TUR is violated but its generalization is satisfied with equality.

Characterizing the Asymmetry in Hardness between Synthesis and Destruction of Heteropolymers.

We present a simple model describing the assembly and disassembly of heteropolymers consisting of two types of monomers A and B. We prove that no matter how we manipulate the concentrations of A and B, it takes longer than the exponential function of d to synthesize a fixed amount of the desired heteropolymer, where d is the number of A-B connections. We also prove the decomposition time is linear for chain length n. When d is proportional to n, synthesis and destruction have an exponential asymmetry. Our findings may facilitate research on the more general asymmetry of operational hardness.

Long-Range Phase Order in Two Dimensions under Shear Flow.

We theoretically and numerically investigate a two-dimensional O(2) model where an order parameter is convected by shear flow. We show that a long-range phase order emerges in two dimensions as a result of anomalous suppression of phase fluctuations by the shear flow. Furthermore, we use the finite-size scaling theory to demonstrate that a phase transition to the long-range ordered state from the disordered state is second order. At a transition point far from equilibrium, the critical exponents turn out to be close to the mean-field value for equilibrium systems.

Microscopic Theory of Fluctuating Hydrodynamics in Nonlinear Lattices.

The theory of fluctuating hydrodynamics has been an important tool for analyzing macroscopic behavior in nonlinear lattices. However, despite its practical success, its microscopic derivation is still incomplete. In this work, we provide the microscopic derivation of fluctuating hydrodynamics, using the coarse-graining and projection technique; the equivalence of ensembles turns out to be critical. The Green-Kubo (GK)-like formula for the bare transport coefficients are presented in a numerically computable form. Our numerical simulations show that the bare transport coefficients exist for a sufficiently large but finite coarse-graining length in the infinite lattice within the framework of the GK-like formula. This demonstrates that the bare transport coefficients uniquely exist for each physical system.

Liquid-Gas Transitions in Steady Heat Conduction.

We study liquid-gas transitions of heat conduction systems in contact with two heat baths under constant pressure in the linear response regime. On the basis of local equilibrium thermodynamics, we propose an equality with a global temperature, which determines the volume near the equilibrium liquid-gas transition. We find that the formation of the liquid-gas interface is accompanied by a discontinuous change in the volume when increasing the mean temperature of the baths. A supercooled gas near the interface is observed as a stable steady state.

Thermodynamic Entropy as a Noether Invariant.

We study a classical many-particle system with an external control represented by a time-dependent extensive parameter in a Lagrangian. We show that thermodynamic entropy of the system is uniquely characterized as the Noether invariant associated with a symmetry for an infinitesimal nonuniform time translation t→t+ηℏß, where η is a small parameter, ℏ is the Planck constant, ß is the inverse temperature that depends on the energy and control parameter, and trajectories in the phase space are restricted to those consistent with quasistatic processes in thermodynamics.

Entropy Production of Nanosystems with Time Scale Separation.

Energy flows in biomolecular motors and machines are vital to their function. Yet experimental observations are often limited to a small subset of variables that participate in energy transport and dissipation. Here we show, through a solvable Langevin model, that the seemingly hidden entropy production is measurable through the violation spectrum of the fluctuation-response relation of a slow observable. For general Markov systems with time scale separation, we prove that the violation spectrum exhibits a characteristic plateau in the intermediate frequency region. Despite its vanishing height, the plateau can account for energy dissipation over a broad time scale. Our findings suggest a general possibility to probe hidden entropy production in nanosystems without direct observation of fast variables.

Replica Symmetry Breaking in Trajectories of a Driven Brownian Particle.

We study a Brownian particle passively driven by a field obeying the noisy Burgers' equation. We demonstrate that the system exhibits replica symmetry breaking in the path ensemble with the initial position of the particle being fixed. The key step of the proof is that the path ensemble with a modified boundary condition can be exactly mapped onto the canonical ensemble of directed polymers.

Nonequilibrium dissipation-free transport in F1-ATPase and the thermodynamic role of asymmetric allosterism.

F1-ATPase (or F1), the highly efficient and reversible biochemical engine, has motivated physicists as well as biologists to imagine the design principles governing machines in the fluctuating world. Recent experiments have clarified yet another interesting property of F1; the dissipative heat inside the motor is very small, irrespective of the velocity of rotation and energy transport. Conceptual interest is devoted to the fact that the amount of internal dissipation is not simply determined by the sequence of equilibrium pictures, but also relies on the rotational-angular dependence of nucleotide affinity, which is a truly nonequilibrium aspect. We propose that the totally asymmetric allosteric model (TASAM), where adenosine triphosphate (ATP) binding to F1 is assumed to have low dependence on the angle of the rotating shaft, produces results that are most consistent with the experiments. Theoretical analysis proves the crucial role of two time scales in the model, which explains the universal mechanism to produce the internal dissipation-free feature. The model reproduces the characteristic torque dependence of the rotational velocity of F1 and predicts that the internal dissipation upon the ATP synthesis direction rotation becomes large at the low nucleotide condition.

Derivation of hydrodynamics from the Hamiltonian description of particle systems.

Hamiltonian particle systems may exhibit nonlinear hydrodynamic phenomena as the time evolution of the density fields of energy, momentum, and mass. In this Letter, an exact equation describing the time evolution is derived assuming the local Gibbs distribution at initial time. The key concept in the derivation is an identity similar to the fluctuation theorems. The Navier-Stokes equation is obtained as a result of simple perturbation expansions in a small parameter that represents the scale separation.

Computation of large deviation statistics via iterative measurement-and-feedback procedure.

We propose a computational method for large deviation statistics of time-averaged quantities in general Markov processes. In our proposed method, we repeat a response measurement against external forces, where the forces are determined by the previous measurement as feedback. Consequently, we obtain a set of stationary states corresponding to an exponential family of distributions, each of which shows rare events in the original system as the typical behavior. As a demonstration of our method, we study large deviation statistics of one-dimensional lattice gas models.

Growth of self-integrated atomic quantum wires and junctions of a Mott semiconductor.

Continued advances in quantum technologies rely on producing nanometer-scale wires. Although several state-of-the-art nanolithographic technologies and bottom-up synthesis processes have been used to engineer these wires, critical challenges remain in growing uniform atomic-scale crystalline wires and constructing their network structures. Here, we discover a simple method to fabricate atomic-scale wires with various arrangements, including stripes, X-junctions, Y-junctions, and nanorings. Single-crystalline atomic-scale wires of a Mott insulator, whose bandgap is comparable to those of wide-gap semiconductors, are spontaneously grown on graphite substrates by pulsed-laser deposition. These wires are one unit cell thick and have an exact width of two and four unit cells (1.4 and 2.8 nm) and lengths up to a few micrometers. We show that the nonequilibrium reaction-diffusion processes may play an essential role in atomic pattern formation. Our findings offer a previously unknown perspective on the nonequilibrium self-organization phenomena on an atomic scale, paving a unique way for the quantum architecture of nano-network.

Pure glass in finite dimensions.

Pure glass is defined as a thermodynamic phase in which typical equilibrium particle configurations have macroscopic overlaps with one of some special irregular configurations. By employing 128 types of artificial molecules, a pure glass model is constructed in the cubic lattice.

Geometric decomposition of entropy production into excess, housekeeping, and coupling parts.

For a generic overdamped Langevin dynamics driven out of equilibrium by both time-dependent and nonconservative forces, the entropy production rate can be decomposed into two positive terms, termed excess and housekeeping entropy. However, this decomposition is not unique: There are two distinct decompositions, one due to Hatano and Sasa, the other one due to Maes and Netocný. Here we establish the connection between these two decompositions and provide a simple, geometric interpretation. We show that this leads to a decomposition of the entropy production rate into three positive terms, which we call the excess, housekeeping, and coupling part, respectively. The coupling part characterizes the interplay between the time-dependent and nonconservative forces. We also derive thermodynamic uncertainty relations for the excess and housekeeping entropy in both the Hatano-Sasa and Maes-Netocný decomposition and show that all quantities obey integral fluctuation theorems. We illustrate the decomposition into three terms using a solvable example of a dragged particle in a nonconservative force field.