Nonequilibrium Dynamics Research Articles

Real-time broadening of bath-induced density profiles from closed-system correlation functions.

The Lindblad master equationis one of the main approaches to open quantum systems. While it has been widely applied in the context of condensed matter systems to study properties of steady states in the limit of long times, the actual route to such steady states has attracted less attention yet. Here, we investigate the nonequilibrium dynamics of spin chains with a local coupling to a single Lindblad bath and analyze the transport properties of the induced magnetization. Combining typicality and equilibration arguments with stochastic unraveling, we unveil for the case of weak driving that the dynamics in the open system can be constructed on the basis of correlation functions in the closed system, which establishes a connection between the Lindblad approach and linear response theory at finite times. In this way, we provide a particular example where closed and open approaches to quantum transport agree strictly. We demonstrate this fact numerically for the spin-1/2 XXZ chain at the isotropic point and in the easy-axis regime, where superdiffusive and diffusive scaling is observed, respectively.

Machine learning a time-local fluctuation theorem for nonequilibrium steady states

Abstract Fluctuation theorems (FTs) quantify the thermodynamic reversibility of a system, and for deterministic systems they are defined in terms of the dissipation function. However, in a nonequilibrium steady state of deterministic dynamics, the phase space distribution is unknown, making the dissipation function difficult to evaluate without extra information. As such, steady state FTs for deterministic systems to date have required either that the trajectory segment of interest is relatively long, or that information is available about the entire trajectory surrounding that segment. In this work, it is shown that a simple machine learning model trained to predict whether a given steady state trajectory segment is being played forward or backward in time calculates a function which satisfies an FT and relies solely on information within the segment of interest. The FT is satisfied even for very short trajectory segments where the approximate relation derived from theory breaks down, for systems far from equilibrium, and for various nonequilibrium dynamics. It is further demonstrated that any function which is a well-calibrated predictor of time’s arrow must satisfy an FT, and that a local FT can be derived which depends only on local dissipation and its correlations with the surrounding nonlocal dissipation.

Quantum quenches from an excited state

Determining the role of initial conditions in the late time evolution is a key issue for the theory of nonequilibrium dynamics of isolated quantum systems. Here we extend the theory of quantum quenches to the case in which before the quench the system is in an excited state. In particular, we show perturbatively in the size of the quench (and for arbitrarily strong interactions among the quasiparticles) that persistent oscillations of one-point functions require the presence of a one-quasiparticle contribution to the nonequilibrium state, as originally shown in Delfino (2014) [5] for the quenches from the ground state. Also in the present case, we argue that the results generically have nonperturbative implications. Oscillations staying undamped within the accessible time interval, far beyond the perturbative time scale, are nowadays observed in numerical simulations.

Dynamic and static properties of quantum Hall and harmonic oscillator systems on the non-commutative plane

We study two quantum mechanical systems on the noncommutative plane using a representation independent approach. First, in the context of the Landau problem, we obtain an explicit expression for the gauge transformation that connects the Landau and the symmetric gauge in noncommutative space. This lead us to conclude that the usual form of the symmetric gauge A⃗=−β2Ŷ,β2X̂, in which the constant β is interpreted as the magnetic field, is not true in noncommutative space. We also be able to establish a precise definition of β as a function of the magnetic field, for which the equivalence between the symmetric and Landau gauges is held in noncommutative plane. Using the symmetric gauge, we obtain results for the spectrum of the quantum Hall system, its transverse conductivity in the presence of an electric field, and other static observables. These results amend the literature on quantum Hall effect in the noncommutative plane in which the incorrect form of the symmetric gauge, in noncommutative space, is assumed. We also study the non-equilibrium dynamics of simple observables for this system. On the other hand, we study the dynamics of the harmonic oscillator in non-commutative space and show that, in general, it exhibits quasi-periodic behavior, in striking contrast with its commutative version. The study of dynamics reveals itself as a most powerful tool to characterize and understand the effects of non-commutativity.

Kinesin and myosin motors compete to drive rich multiphase dynamics in programmable cytoskeletal composites.

The cellular cytoskeleton relies on diverse populations of motors, filaments, and binding proteins acting in concert to enable nonequilibrium processes ranging from mitosis to chemotaxis. The cytoskeleton's versatile reconfigurability, programmed by interactions between its constituents, makes it a foundational active matter platform. However, current active matter endeavors are limited largely to single force-generating components acting on a single substrate-far from the composite cytoskeleton in cells. Here, we engineer actin-microtubule (MT) composites, driven by kinesin and myosin motors and tuned by crosslinkers, to ballistically restructure and flow with speeds that span three orders of magnitude depending on the composite formulation and time relative to the onset of motor activity. Differential dynamic microscopy analyses reveal that kinesin and myosin compete to delay the onset of acceleration and suppress discrete restructuring events, while passive crosslinking of either actin or MTs has an opposite effect. Our minimal advection-diffusion model and spatial correlation analyses correlate these dynamics to structure, with motor antagonism suppressing reconfiguration and demixing, while crosslinking enhances clustering. Despite the rich formulation space and emergent formulation-dependent structures, the nonequilibrium dynamics across all composites and timescales can be organized into three classes-slow isotropic reorientation, fast directional flow, and multimode restructuring. Moreover, our mathematical model demonstrates that diverse structural motifs can arise simply from the interplay between motor-driven advection and frictional drag. These general features of our platform facilitate applicability to other active matter systems and shed light on diverse ways that cytoskeletal components can cooperate or compete to enable wide-ranging cellular processes.

The yin and yang of self-regulation in developing vertebrates.

All living organisms are thermodynamic open systems constantly exchanging energy with the environment to maintain organization and structure. In a state of non-equilibrium they undergo a back and forth pattern of self-regulation and dysregulation in energy exchange. This state of dynamic non-equilibrium can be observed during vertebrate development in which high phenotypic variation and plasticity exists, especially in the presence of stressors. While investigations of the effects of stressors on mechanisms of self-regulation are usually measured by systemic changes (e.g. metabolic rate) between baseline (control) and stimulus (or stressor), real world stressors do not switch on and off in predictable patterns, rarely occur alone, and can be acute (short-term) or chronic (long-term). In this short review, application of two processes underlying self-regulation and dysregulation are explored, 1) allostasis, stability through change or the processes underlying self-regulation and, 2) metastasis, instability through change or the processes underlying dysregulation, to understand the effects of environmental stressors on the energetics of fish early life history stages (embryos and larvae). In mammalian physiology, allostasis theory was developed to maximize the probability of survival under stress, while reducing or limiting somatic damage. Yet, allostatic responses have energetic costs. Multiple stress responses over time result in systemic somatic damage accompanied by a loss of resilience due to an inability to self-regulate. Allostatic costs and their systemic effects on neuroendocrine, metabolic, cardiovascular and immune systems are cumulative and understood for adults but not yet for earlier stages. Developing stages with greater challenges for allostatic self-regulation than older stages because of limited resources have higher growth rates, smaller aerobic scopes, elevated metabolic costs, tight energy budgets, and employ compensatory versus additive energy budgets. Along with high mortality, early stages are expected to exhibit decreased physiological resilience and increased vulnerability in response to stressors, but little examination of energetic strategies to preserve functional stability in the face of stressors exists. While dysregulation/metastatic processes are more difficult to document in development, they increase our understanding of how organisms exposed to chronic/multiple stressors may reach allostatic overload leading to either, 1) systemic dysfunction and/or death or possibly, 2) novel physiological adaptive states. Evaluation of factors driving the yin and yang of self-regulation and dysregulation will provide knowledge of factors triggering or retarding metastatic processes, thus identifying those that prevent or reduce their affects, important in a world undergoing rapid global change.

Nonequilibrium sensing of volatile compounds using active and passive analyte delivery

Although sensor technologies have allowed us to outperform the human senses of sight, hearing, and touch, the development of artificial noses is significantly behind their biological counterparts. This largely stems from the sophistication of natural olfaction, which relies on both fluid dynamics within the nasal anatomy and the response patterns of hundreds to thousands of unique molecular-scale receptors. We designed a sensing approach to identify volatiles inspired by the fluid dynamics of the nose, allowing us to extract information from a single sensor (here, the reflectance spectra from a mesoporous one-dimensional photonic crystal) rather than relying on a large sensor array. By accentuating differences in the nonequilibrium mass-transport dynamics of vapors and training a machine learning algorithm on the sensor output, we clearly identified polar and nonpolar volatile compounds, determined the mixing ratios of binary mixtures, and accurately predicted the boiling point, flash point, vapor pressure, and viscosity of a number of volatile liquids, including several that had not been used for training the model. We further implemented a bioinspired active sniffing approach, in which the analyte delivery was performed in well-controlled 'inhale-exhale' sequences, enabling an additional modality of differentiation and reducing the duration of data collection and analysis to seconds. Our results outline a strategy to build accurate and rapid artificial noses for volatile compounds that can provide useful information such as the composition and physical properties of chemicals, and can be applied in a variety of fields, including disease diagnosis, hazardous waste management, and healthy building monitoring.

Role of DNA-DNA sliding friction and nonequilibrium dynamics in viral genome ejection and packaging.

Many viruses eject their DNA via a nanochannel in the viral shell, driven by internal forces arising from the high-density genome packing. The speed of DNA exit is controlled by friction forces that limit the molecular mobility, but the nature of this friction is unknown. We introduce a method to probe the mobility of the tightly confined DNA by measuring DNA exit from phage phi29 capsids with optical tweezers. We measure extremely low initial exit velocity, a regime of exponentially increasing velocity, stochastic pausing that dominates the kinetics and large dynamic heterogeneity. Measurements with variable applied force provide evidence that the initial velocity is controlled by DNA-DNA sliding friction, consistent with a Frenkel-Kontorova model for nanoscale friction. We confirm several aspects of the ejection dynamics predicted by theoretical models. Features of the pausing suggest that it is connected to the phenomenon of 'clogging' in soft matter systems. Our results provide evidence that DNA-DNA friction and clogging control the DNA exit dynamics, but that this friction does not significantly affect DNA packaging.

Emergence of Hydrodynamic Spatial Long-Range Correlations in Nonequilibrium Many-Body Systems.

At large scales of space and time, the nonequilibrium dynamics of local observables in extensive many-body systems is well described by hydrodynamics. At the Euler scale, one assumes that each mesoscopic region independently reaches a state of maximal entropy under the constraints given by the available conservation laws. Away from phase transitions, maximal entropy states show exponential correlation decay, and independence of fluid cells might be assumed to subsist during the course of time evolution. We show that this picture is incorrect: under ballistic scaling, regions separated by macroscopic distances "develop long-range correlations as time passes." These correlations take a universal form that only depends on the Euler hydrodynamics of the model. They are rooted in the large-scale motion of interacting fluid modes and are the dominant long-range correlations developing in time from long-wavelength, entropy-maximized states. They require "the presence of interaction" and "at least two different fluid modes" and are of a fundamentally different nature from well-known long-range correlations occurring from diffusive spreading or from quasiparticle excitations produced in far-from-equilibrium quenches. We provide a universal theoretical framework to exactly evaluate them, an adaptation of the macroscopic fluctuation theory to the Euler scale. We verify our exact predictions in the hard-rod gas, by comparing with numerical simulations and finding excellent agreement.

Imaging Field-Driven Melting of a Molecular Solid at the Atomic Scale.

Solid-liquid phase transitions are basic physical processes, but atomically-resolved microscopy has yet to capture their full dynamics. We have developed a new technique for controlling the melting and freezing of self-assembled molecular structures on a graphene field-effect transistor (FET) that allows phase transition behavior to be imaged using atomically-resolved scanning tunneling microscopy. This is achieved by applying electric fields to F4 TCNQ-decorated FETs to induce reversible transitions between molecular solid and liquid phases at the FET surface. Nonequilibrium melting dynamics are visualized by rapidly heating the graphene substrate with electrical current and imaging the resulting evolution toward new 2D equilibrium states. An analytical model has been developed that explains observed mixed-state phases based on spectroscopic measurement of solid and liquid molecular energy levels. The observed non-equilibrium melting dynamics are consistent with Monte Carlo simulations. This article is protected by copyright. All rights reserved.

Force dipole interactions in tubular fluid membranes

We construct viscous fluid flow sourced by a force dipole embedded in a cylindrical fluid membrane, coupled to external embedding fluids. We find analytic expressions for the flow in the limit of infinitely long and thin tubular membranes. We utilize this solution to formulate the in-plane dynamics of a pair of pusher-type dipoles along the cylinder surface. We find that a mutually perpendicular dipole pair generically moves together along helical geodesics. Since the cylindrical geometry breaks the in-plane rotational symmetry of the membrane, there is a difference in flows along the axial (ẑ) and transverse (θ̂) directions of the cylinder. This in turn leads to anisotropic hydrodynamic interaction between the dipoles and is remarkably different from flat and spherical fluid membranes. In particular, the flow along the compact θ̂ direction of the cylinder has a local rigid rotation term (independent of the angular coordinate but decays along the axis of the cylinder). Due to this feature of the flow, we observe that the interacting dipole pair initially situated along the axial direction ẑ exhibits an overall “drift” along the compact angular direction θ̂ of the tubular fluid membrane. We find that the drift for the dipole pair increases linearly with time. Our results are relevant for non-equilibrium dynamics of motor proteins in tubular membranes arising in nature, as well as in vitro experiments.

Entanglement entropy, single-particle occupation probabilities, and short-range correlations

For quantum many-body systems with short-range correlations (SRCs), the intimate relationship between their magnitude, the behavior of the single-particle occupation probabilities at momenta larger than the Fermi momentum, and the entanglement entropy is a new qualitative aspect not studied and exploited yet. A large body of recent condensed matter studies indicates that the time evolution of the entanglement entropy describes the nonequilibrium dynamics of isolated and strongly interacting many-body systems, in a manner similar to the Boltzmann entropy, which is strictly defined for dilute and weakly interacting many-body systems. Both theoretical and experimental studies in nuclei and cold atomic gases have shown that the fermion momentum distribution has a generic behavior $n(k)=C/{k}^{4}$ at momenta larger than the Fermi momentum, due to the presence of SRCs, with approximately 20% of the particles having momenta larger than the Fermi momentum. The presence of the long momentum tails in the presence of SRCs changes the textbook relation between the single-particle kinetic energy and occupation probabilities, ${n}_{\text{mf}}(k)=1/{1+exp\ensuremath{\beta}[\ensuremath{\epsilon}(k)\ensuremath{-}\ensuremath{\mu}]}$ for momenta very different form the Fermi momentum, particularly for dynamics processes. SRCs induced high-momentum tails of the single-particle occupation probabilities increase the entanglement entropy of fermionic systems, which in its turn affects the dynamics of many nuclear reactions, such as heavy-ion collisions and nuclear fission.

Dynamic Gardner cross-over in a simple glass.

The criticality of the jamming transition responsible for amorphous solidification has been theoretically linked to the marginal stability of a thermodynamic Gardner phase. While the critical exponents of jamming appear independent of the preparation history, the pertinence of Gardner physics far from equilibrium is an open question. To fill this gap, we numerically study the nonequilibrium dynamics of hard disks compressed toward the jamming transition using a broad variety of protocols. We show that dynamic signatures of Gardner physics can be disentangled from the aging relaxation dynamics. We thus define a generic dynamic Gardner cross-over regardless of the history. Our results show that the jamming transition is always accessed by exploring increasingly complex landscape, resulting in anomalous microscopic relaxation dynamics that remains to be understood theoretically.

Vacuole dynamics and popping-based motility in liquid droplets of DNA

Liquid droplets of biomolecules play key roles in organizing cellular behavior, and are also technologically relevant, yet physical studies of dynamic processes of such droplets have generally been lacking. Here, we investigate and quantify the dynamics of formation of dilute internal inclusions, i.e., vacuoles, within a model system consisting of liquid droplets of DNA ‘nanostar’ particles. When acted upon by DNA-cleaving restriction enzymes, these DNA droplets exhibit cycles of appearance, growth, and bursting of internal vacuoles. Analysis of vacuole growth shows their radius increases linearly in time. Further, vacuoles pop upon reaching the droplet interface, leading to droplet motion driven by the osmotic pressure of restriction fragments captured in the vacuole. We develop a model that accounts for the linear nature of vacuole growth, and the pressures associated with motility, by describing the dynamics of diffusing restriction fragments. The results illustrate the complex non-equilibrium dynamics possible in biomolecular condensates.

Optically Induced Multistage Phase Transition in Coherent Phonon-Dominated a-GeTe.

Ultrafast photoexcitation can decouple the multilevel nonequilibrium dynamics of electron-lattice interactions, providing an ideal probe for dissecting photoinduced phase transition in solids. Here, real-time time-dependent density functional theory simulations combined with occupation-constrained DFT methods are employed to explore the nonadiabatic paths of optically excited a-GeTe. Results show that the short-wavelength ultrafast laser is capable of generating full-domain carrier excitation and repopulation, whereas the long-wavelength ultrafast laser favors the excitation of lone pair electrons in the antibonded state. Photodoping makes the double-valley potential energy surface shallower and allows the insertion of A1g coherent forces in the atomic pairs, by which the phase reversal of Ge and Te atoms in the ⟨001⟩ direction is activated with ultrafast suppression of the Peierls distortion. These findings have far-reaching implications regarding nonequilibrium phase engineering strategies based on phase-change materials.

Invariant forms and control dimensional parameters in complexity quantification

Non-equilibrium dynamics is omnipresent in nature and technology and can exhibit symmetries and order. In idealistic systems this universality is well-captured by traditional models of dynamical systems. Realistic processes are often more complex. This work considers two paradigmatic complexities—canonical Kolmogorov turbulence and interfacial Rayleigh-Taylor mixing. We employ symmetries and invariant forms to assess very different properties and characteristics of these processes. We inter-link, for the first time, to our knowledge, the scaling laws and spectral shapes of Kolmogorov turbulence and Rayleigh-Taylor mixing. We reveal the decisive role of the control dimensional parameters in their respective dynamics. We find that the invariant forms and the control parameters provide the key insights into the attributes of the non-equilibrium dynamics, thus expanding the range of applicability of dynamical systems well-beyond traditional frameworks.

Kinetic modelling of rarefied gas flows with radiation

Two kinetic models are proposed for high-temperature rarefied (or non-equilibrium) gas flows with internal degrees of freedom and radiation. One of the models uses the Boltzmann collision operator to model the translational motion of gas molecules, which has the ability to capture the influence of intermolecular potentials, while the other adopts the relaxation time approximations, which has higher computational efficiency. In our kinetic model equations, not only the transport coefficients such as the shear/bulk viscosity and thermal conductivity but also their underlying relaxation processes are recovered. The non-equilibrium dynamics of gas flow and radiation are tightly coupled, where the transport properties of gas molecules and photons are correlatively dependent. The proposed kinetic models are validated by the direct simulation Monte Carlo method in several non-radiative rarefied gas flows (e.g. the normal shock wave, Fourier flow, Couette flow and the creep flow driven by the Maxwell demon), and the experimental data of planar heat transfer and normal shock waves in nitrogen. Then, the rarefied gas flows with strong radiation are studied based on the kinetic models, not only in the above one-dimensional gas flows, but also in the two-dimensional radiative hypersonic flow passing a cylinder. The characteristics of heat transfer in the tightly coupled fields of gas and radiation are systematically investigated, particularly the influence of the non-equilibrium photon transport and their interactions with gas molecules are revealed. It is found that the radiation makes a profound contribution to the total heat transfer in radiative hypersonic flow at an intermediate photon Knudsen number.

Stability and dynamics of many-body localized systems coupled to a small bath

It is known that strong disorder in closed quantum systems leads to many-body localization (MBL), and that this quantum phase can be destroyed by coupling to an infinitely large Markovian environment. However, the stability of the MBL phase is less clear when the system and environment are of finite and comparable size. Here, we study the stability and eventual localization properties of a disordered Heisenberg spin chain coupled to a finite environment, and extensively explore the effects of environment disorder, geometry, initial state, and system-bath coupling strength, using the steady-state value of magnetization as a probe. Focusing on nonequilibrium dynamics and steady-state properties, our results indicate that within system sizes amenable to exact diagonalization, a strongly localized system interacting in a junction configuration retains remnant information on its initial state at long times despite coupling to a finite ergodic environment. In contrast, in a ladder configuration, strong dependencies on the initial state and coupling strength are observed, which can lead to either the loss or retention of information. Finally, we highlight and discuss discrepancies that can arise when similar methodologies are employed to infer localization or thermalization, revealing the need for careful interpretation.

Gaussian-state Ansatz for the non-equilibrium dynamics of quantum spin lattices

The study of non-equilibrium dynamics is one of the most important challenges of modern quantum many-body physics, in relationship with fundamental questions in quantum statistical mechanics, as well as with the fields of quantum simulation and computing. In this work we propose a Gaussian Ansatz for the study of the nonequilibrium dynamics of quantum spin systems. Within our approach, the quantum spins are mapped onto Holstein-Primakoff bosons, such that a coherent spin state - chosen as the initial state of the dynamics - represents the bosonic vacuum. The state of the system is then postulated to remain a bosonic Gaussian state at all times, an assumption which is exact when the bosonic Hamiltonian is quadratic; and which is justified in the case of a nonlinear Hamiltonian if the boson density remains moderate. We test the accuracy of such an Ansatz in the paradigmatic case of the S=1/2S=1/2 transverse-field Ising model, in one and two dimensions, initialized in a state aligned with the applied field. We show that the Gaussian Ansatz, when applied to the bosonic Hamiltonian with nonlinearities truncated to quartic order, is able to reproduce faithfully the evolution of the state, including its relaxation to the equilibrium regime, for fields larger than the critical field for the paramagnetic-ferromagnetic transition in the ground state. In particular the spatio-temporal pattern of correlations reconstructed via the Gaussian Ansatz reveals the dispersion relation of quasiparticle excitations, exhibiting the softening of the excitation gap upon approaching the critical field. Our results suggest that the Gaussian Ansatz correctly captures the essential effects of nonlinearities in quantum spin dynamics; and that it can be applied to the study of fundamental phenomena such as quantum thermalization and its breakdown.

Holographic dissipation prefers the Landau over the Keldysh form

Although holographic duality has been regarded as a complementary tool in helping understand the nonequilibrium dynamics of strongly coupled many-body systems, it still remains a remarkable challenge how to confront its predictions quantitatively with real experimental scenarios. By matching the holographic vortex dynamics with the phenomenological dissipative Gross-Pitaevskii models, we find that the holographic dissipation mechanism can be well captured by the Landau form rather than the Keldysh one, although the latter is much more widely used in numerical simulations. Our finding is expected to open up novel avenues for facilitating the quantitative test of holographic predictions against upcoming experimental data. Our result also provides a prime example how holographic duality can help select proper phenomenological models to describe far-from-equilibrium nonlinear dynamics beyond the hydrodynamic regime.