Nonequilibrium Phenomena Research Articles

Non-equilibrium characteristics and regulation methods of methane hydrate nucleation on the substrate surface

The synthesis process of methane hydrate exhibits strong non-equilibrium phenomena at all stages, with the nucleation stage being the most prominent. In this study, we used molecular dynamics simulations to investigate the spontaneous synthesis of methane hydrate on solid surfaces, focusing on the mass transfer non-equilibrium characteristics during the nucleation stage. From the overall perspective of nucleation events, we applied the Onsager hypothesis and introduced normalized autocorrelation functions to analyze the fluctuation-dissipation characteristics of hydrate cage structures on different substrate surfaces. We also examined the relationship between the orderliness of water molecules forming the cages and the solubility and diffusion of guest molecules. By comparing the effects of temperature and the presence of SDS and THF additives, we regulated the non-equilibrium characteristics during nucleation. The results indicate that nucleation on aluminum surfaces exhibits stronger non-equilibrium characteristics; there is a synergy between the components forming the hydrate and the overall fluctuation characteristics; lowering the temperature inhibits the non-equilibrium characteristics of the nucleation process but also reduces the number of nucleation events; the addition of additives effectively enhances the non-equilibrium characteristics, with the effect being more pronounced when SDS is in the gas phase, shortening the fluctuation period and relaxation time by 90.2 % and 66.3 %, respectively. This study demonstrates the mass transfer-driven non-equilibrium characteristics of the spontaneous nucleation of methane hydrates on solid surfaces and provides regulatory methods, contributing to a deeper understanding of the synthesis mechanism of hydrates.

Quantum many-body scars for arbitrary integer spin in 2+1D Abelian gauge theories

The existence of quantum many-body scars, which prevents thermalization from certain initial states after a long time, has been established across different quantum many-body systems. These include gauge theories corresponding to spin-1/2 quantum link models. Establishing quantum scars in gauge theories with high spin is not accessible with existing numerical methods, which rely on exact diagonalization. We systematically identify scars for pure gauge theories with arbitrarily large integer spin S in 2+1D, where the electric field is restricted to 2S+1 states per link. Through an explicit analytic construction, we show that the presence of scars is widespread in 2+1D gauge theories for arbitrary integer spin. We confirm these findings numerically for small truncated spin and S=1 quantum link models. Our analytic construction establishes the presence of scars far beyond volumes and spins that can be probed with existing numerical methods and can guide quantum simulation experiments toward interesting nonequilibrium phenomena, inaccessible otherwise. Published by the American Physical Society 2024

Prediction of microstructural evolution of multicomponent polymers by Physics-Informed neural networks

As emerging concepts, leveraging physical information with machine learning to construct hybrid models enables a scientific data-driven paradigm for the investigation of complex kinetic issues in the field of polymer science. Herein, the model of physics-informed neural networks (PINNs), integrating advantages of neural networks with physics-based knowledge, is extended to predict the spatiotemporal patterns of phase-separated microstructures of multicomponent polymers. It is demonstrated that the PINN-based data-driven model can achieve the forward, backward and bidirectional predictions of spatiotemporally phase-separated patterns of homopolymer blends. All predicted patterns reveal a high accuracy and robustness of PINN-based data-driven model by leveraging a small amount of training data. Particularly, the PINN-based method can be harnessed to infer the latent physical law about the growth kinetics of phase-separated microstructures. In addition, PINN-based data-driven model can also be generalized to forecast the spatiotemporal patterns of microphase-separated nanostructures of block copolymers and infer their growth kinetics. Our study opens the possibility of learning non-equilibrium phenomena of complex polymer systems from only a few snapshots of microstructural evolution.

Efficient quantum circuits based on the quantum natural gradient

Efficient preparation of arbitrary entangled quantum states is crucial for quantum computation. This is particularly important for noisy intermediate-scale quantum simulators relying on variational hybrid quantum-classical algorithms. To that end, we propose symmetry-conserving modified quantum approximate optimization algorithm (SCom-QAOA) circuits. The depths of these circuits depend not only on the desired fidelity to the target state but also on the amount of entanglement the state contains. The parameters of the SCom-QAOA circuits are optimized using the quantum natural gradient method based on the Fubini-Study metric. The SCom-QAOA circuit transforms an unentangled state into a ground state of a gapped one-dimensional Hamiltonian with a circuit depth that depends not on the system size but rather on the finite correlation length. In contrast, the circuit depth grows proportionally to the system size for preparing low-lying states of critical one-dimensional systems. Even in the latter case, SCom-QAOA circuits with depth less than the system size were sufficient to generate states with fidelity in excess of 99%, which is relevant for near-term applications. The proposed scheme enlarges the set of the initial states accessible for variational quantum algorithms and widens the scope of investigation of nonequilibrium phenomena in quantum simulators. Published by the American Physical Society 2024

Nonequilibrium Dynamics at Cellular Interfaces: Insights From Simulation and Theory

ABSTRACTActive matters, which consume energy to exert mechanical forces, include molecular motors, synthetic nanomachines, actively propelled bacteria, and viruses. A series of unique phenomena emerge when active matters interact with cellular interfaces. Activity changes the mechanism of nanoparticle intracellular delivery, while active mechanical processes generated in the cytoskeleton play a major role in membrane protein distribution and transport. This review provides a comprehensive overview of the theoretical and simulation models used to study these nonequilibrium phenomena, offering insights into how activity enhances cellular uptake, influences membrane deformation, and governs surface transport dynamics. Furthermore, we explore the impact of membrane properties, such as fluidity and viscosity, on transport efficiency and discuss the slippage dynamics and active rotation behaviors on the membrane surface. The interplay of active particles and membranes highlights the essential role of nonequilibrium dynamics in cellular transport processes, with potential applications in drug delivery and nanotechnology. Finally, we provide an outlook highlighting the significance of deeper theoretical and simulation‐based investigations to optimize active particles and understand their behavior in complex biological environments.

Optimization of hydrogen recirculation ejector for proton-exchange membrane fuel cells (PEMFC) systems considering non-equilibrium condensation

In proton exchange membrane fuel cell (PEMFC) systems, unconsumed hydrogen recirculation is enabled by utilizing an ejector, and the PEMFC system's efficiency is thereby enhanced. Apart from the structural parameters, an ejector's performance is also significantly affected by the non-equilibrium condensation phenomenon. Therefore, the ejector structural parameters' impact upon non-equilibrium condensation intensity and ejector efficiency is investigated under design conditions. Structural optimization of the ejector is performed within its operating range to uphold optimal efficiency in the presence of fluctuations in secondary flow pressure. The result shows that non-equilibrium condensation negatively affects the ejector's efficiency, but its impact diminishes with larger mixing chamber diameters and nozzle divergence angles. The optimized ejector performs best with a 2.40 mm diameter mixing chamber and an 11.0o nozzle divergence angle. On average, the optimized ejector's performance improves by 16.8%, reaching a maximum improvement of 22.8% within the effective operating range.

Fragmented perspective of self-organized criticality and disorder in log gravity

We use a statistical model to discuss nonequilibrium fragmentation phenomena taking place in the stochastic dynamics of the log sector in log gravity. From the canonical Gibbs model, a combinatorial analysis reveals an important aspect of the n-particle evolution previously shown to generate a collection of random partitions according to the Ewens distribution realized in a disconnected double Hurwitz number in genus zero. By treating each possible partition as a member of an ensemble of fragmentations, and ensemble averaging over all partitions with the Hurwitz number as a special case of the Gibbs distribution, a resulting distribution of cluster sizes appears to fall as a power of the size of the cluster. Dynamical systems that exhibit a distribution of sizes giving rise to a scale-invariant power-law behavior at a critical point possess an important property called self-organized criticality. As a corollary, the log sector of log gravity is a self-organized critical system at the critical point μl = 1. A similarity between self-organized critical systems, spin glass models and the dynamics of the log sector which exhibits aging behavior reminiscent of glassy systems is pointed out by means of the Pòlya distribution, also known to classify various models of (randomly fragmented) disordered systems, and by presenting the cluster distribution in the log sector of log gravity as a distinguished member of this probability distribution. We bring arguments from a probabilistic perspective to discuss the disorder in log gravity, largely anticipated through the conjectured AdS3/LCFT2 correspondence.

Comparison of subcooled flow boiling in concentric annuli with bare and finned surfaces

In this study, the hydrodynamic and thermal characteristics of subcooled flow boiling in concentric annuli with inner heating wires, featuring bare and finned surfaces designed for heat transfer enhancement, were experimentally investigated, with a focus on cooling technology for EV charging cables. The bare wire test module consisted of a 300 mm long wire, with a 290 mm long inner heating surface and a diameter of 10 mm. The outer tube was constructed from transparent polycarbonate with a 22 mm diameter, allowing optical access to observe the flow. The finned wire test module has an identical construction, except for the addition of six longitudinally extruded fins with cross-sectional dimensions of 2 × 5 mm2. Experiments and flow visualizations, aided by high speed imaging, were conducted using HFE-7100 as the working fluid at mass velocities, G, 463.7 to 1,309.6 kg/m2s and heat fluxes from 0.90 to 9.93 W/cm2, under inlet pressures between 120 and 240 kPa. The study investigated thermal non-equilibrium phenomena, driven by asymmetric bubble accumulation, and their effects on circumferential temperature distribution, which showed opposing trends between the bare and finned surfaces. An evaluation of previous empirical correlations for predicting subcooled flow boiling heat transfer coefficients was performed, followed by an assessment of fin performance in enhancing heat transfer. A comparative analysis with the bare surface module of the same dimensions confirmed that the longitudinal fins provided superior thermal management, maintaining the surface temperature below the safety threshold, Ts,safe. The longitudinal fins demonstrated a 54.5 % reduction in charging time and a 183.7 % increase in charging current for charging up to 80 % state of charge (SOC) of a 77.4 kWh battery, compared to the bare wire.

Growth of thermoplastic shear band

Shear localization is a fundamental and widely observed non-equilibrium phenomenon in metallic materials subjected to impulsive loadings. Despite extensive research over several decades, the evolution of shear bands still remains poorly understood. In this study, we propose a two-stage model to describe the evolution of thermoplastic shear band, where the effects of strain hardening, strain-rate hardening, and thermal softening are involved. Our analysis reveals that the growth of thermoplastic shear band is derived by the competition between momentum diffusion and thermal diffusion processes, which is controlled by the solid-state equivalent of the Prandtl number. By incorporating these factors into our model, we find that the presence of hardening effect retards the evolution of shear bands, resulting in a wider shear band and increased dissipation of energy. Theoretical calculation results of shear bandwidth, shear band strain, propagation velocity, process zone geometry and dimensions, critical dissipation energy, shear band toughness, and shear band spacing are well consistent with available experimental data. Additionally, we explore the potential transition to turbulence controlled by Reynolds number within shear bands and investigate the influence of the Taylor-Quinney coefficient on the evolution of shear bands. These findings are expected to offer valuable insights into the mechanism of shear band evolution.

Investigation of non-equilibrium phenomena in nitrogen RF inductively coupled plasma discharges: a state-to-state approach

Abstract This work presents a vibrational and electronic (vibronic) state-to-state (StS) model for nitrogen plasmas implemented within a multi-physics modular computational framework to study non-equilibrium effects in inductively coupled plasma (ICP) discharges. The vibronic master equations are solved in a tightly coupled fashion with the flow governing equations eliminating the need for invoking any simplifying assumptions when computing the state of the plasma, leading to a high-fidelity physical modeling. The model’s computational complexity is reduced via a maximum entropy coarse-graining approach, verified through zero-dimensional isochoric calculations. The coarse-grained StS model is employed to study the plasma discharge in the ICP facility at the von Karman Institute for Fluid Dynamics, Belgium. Results reveal pronounced discrepancies between StS predictions and those obtained based on local thermodynamic equilibrium (LTE) models, which are conventionally used in the simulation of such facilities. The analysis demonstrates a substantial departure of the internal state populations of atoms and molecules from the Boltzmann distribution. This has significant implications for energy coupling dynamics, affecting the discharge morphology. Further analysis reveals a quasi-steady-state population distribution in the plasma core, allowing for the construction of an efficient and ‘self-consistent’ macroscopic two-temperature (2T) formulation. Non-LTE simulations indicate significant disparities between the StS model and the commonly used Park 2T model, whereas the newly proposed 2T model aligns closely with StS simulations, capturing key features of non-equilibrium plasma formation. In particular, the current study highlights the importance of the vibrational-translational energy transfer term in shaping the plasma core morphology, suggesting a notable sensitivity to heavy-impact vibrational excitations and dissociative processes.

Observing Quantum Measurement Collapse as a Learnability Phase Transition

During a quantum measurement, superpositions of states with different observable properties probabilistically collapse into one with a sharp value of the measured observable. In macroscopic quantum systems, this collapse arises via a continuous measurement-induced phase transition (MIPT) at a critical value of the strength of interaction with the measurement apparatus. MIPTs lie outside established paradigms for equilibrium or nonequilibrium critical phenomena and delineate distinct, stable dynamical and computational phases of matter. Quantum computers enable programmable simulation of the interaction of a measurement apparatus with a dynamical quantum system, to explore MIPT phenomena over a range of system sizes while retaining quantum coherence. Yet, existing experimental protocols rely on fundamentally nonscalable postselection techniques or direct classical simulation of quantum circuits. Here, we report the scalable observation of finite-size scaling evidence for an observable-sharpening MIPT in monitored quantum circuits in a chain of Yb+171 ions in Quantinuum’s H1-1 trapped-ion quantum processor. By leveraging an equivalent description as a statistical physics problem, we implement scalable classical algorithms to infer the value of the measured observable from a single experimental shot. This technique enables a truly scalable protocol to observe observable-sharpening MIPTs in generic classes of circuits that cannot be directly classically simulated and also provides enhanced means to detect and suppress errors in the quantum simulation. Published by the American Physical Society 2024

Chiral Damping of Magnons.

Chiral magnets have garnered significant interest due to the emergence of unique phenomena prohibited in inversion-symmetric magnets. While the equilibrium characteristics of chiral magnets have been extensively explored through the Dzyaloshinskii-Moriya interaction (DMI), nonequilibrium properties like magnetic damping have received comparatively less attention. We present the inaugural direct observation of chiral damping through Brillouin light scattering (BLS) spectroscopy. Employing BLS spectrum analysis, we independently deduce both the DMI and chiral damping, extracting them from the frequency shift and linewidth of the spectrum peak, respectively. The resulting linewidths exhibit clear odd symmetry with respect to the magnon wave vector, unambiguously confirming the presence of chiral damping. Our study introduces a novel methodology for quantifying chiral damping, with potential ramifications on diverse nonequilibrium phenomena within chiral magnets.

Transitions between equilibrium and nonequilibrium phenomena in the description of crystal growth

The close intertwining of equilibrium and nonequilibrium thermodynamic representations and transitions between the two limiting principles of thermodynamics: the second beginning and the principle of least coercion (minimum entropy production in the stationary regime) constitute the main content of phenomenological theories of crystal growth. The difference of basic postulates of two sections of thermodynamics forces to discuss problems of reversibility and irreversibility of time, scales of observed phenomena and rules of conjugation of thermodynamic forces and flows in theories of crystal growth. A variant of the solution of some conjugation problems is shown on the example of the fluctuation model of dislocation crystal growth, which is based on the stationary isothermal process of thermodynamic free energy fluctuations. In the case of the limiting mode of adsorption of impurities on the crystal face according to the Langmuir model, the free energy fluctuations possessing the absence of the memory effect allow us to identify three chemical potentials of building particles that determine the corresponding values of solution supersaturations realized at different scale levels at the growing crystal face containing a helical dislocation. The supersaturations control quasi-equilibrium and nonequilibrium thermodynamic processes that constitute a single dislocation mechanism of crystal growth.

Nonequilibrium quasiparticle distribution in superconducting resonators: Effect of pair-breaking photons

Many superconducting devices rely on the finite gap in the excitation spectrum of a superconductor: thanks to this gap, at temperatures much smaller than the critical one the number of excitations (quasiparticles) that can impact the device’s behavior is exponentially small. Nevertheless, experiments at low temperature usually find a finite, non-negligible density of quasiparticles whose origin has been attributed to various non-equilibrium phenomena. Here, we investigate the role of photons with energy exceeding the pair-breaking threshold 2\Delta2Δ as a possible source for these quasiparticles in superconducting resonators. Modeling the interacting system of quasiparticles, phonons, sub-gap and pair-breaking photons using a kinetic equation approach, we find analytical expressions for the quasiparticles’ density and their energy distribution. Applying our theory to measurements of quality factor as function of temperature and for various readout powers, we find they could be explained by assuming a small number of photons above the pair-breaking threshold. We also show that frequency shift data can give evidence of quasiparticle heating.

Femtosecond trimer quench in the unconventional charge-density-wave material 1T′−TaTe2

Ultrafast optical switching of materials properties promises future technological applications, enabled by fundamental insights about microscopic couplings and nonequilibrium phenomena. Transition-metal dichalcogenides (TMDCs) combine photosensitivity with strong correlations, furthering rich phase diagrams and enhanced tunability. The compound 1T′−TaTe2 exhibits an electronically and structurally unique set of charge density waves (CDWs), featuring an unusual increase in conductivity and amplitude modes of low prominence. Compared to other charge-ordered TMDCs, only very few studies addressed the ultrafast response of this material to optical excitation. In particular, the question whether such unconventional properties translate to unusual quench dynamics remains largely unresolved. Here, we investigate the structural dynamics in 1T′−TaTe2 by means of ultrafast nanobeam electron diffraction at an unprecedented repetition rate of 2MHz. We reveal a strongly directional cooperative atomic motion during the one-dimensional quench of the low-temperature trimer lattice. These dynamics are completed within less than 500fs, substantially faster than reported previously. In striking contrast, the periodic lattice distortion of the room-temperature phase is unusually robust against high-density electronic excitation. In conjunction with the known sensitivity of 1T′−TaTe2 to chemical doping, we thus expect the material to serve as a versatile platform for tunable structural control by optical stimuli. Published by the American Physical Society 2024

Long-lived isospin excitations in magic-angle twisted bilayer graphene.

Numerous correlated many-body phases, both conventional and exotic, have been reported in magic-angle twisted bilayer graphene (MATBG)1-24. However, the dynamics associated with these correlated states, crucial for understanding the underlying physics, remain unexplored. Here we combine exciton sensing and optical pump-probe spectroscopy to investigate the dynamics of isospin orders in MATBG with WSe2 substrate across the entire flat band, achieving sub-picosecond resolution. We observe remarkably slow isospin dynamics in a broad filling range around ν = 2 and between ν = -3 and -2, with lifetimes of up to 300 ps that decouple from the much faster cooling of electronic temperature (about 10 ps). This non-thermal behaviour demonstrates the presence of abnormally long-lived modes in the isospin degrees of freedom. This observation, not anticipated by theory, implies the existence of long-range propagating collective modes, strong isospin fluctuations and memory effects and is probably associated with an intervalley coherent or incommensurate Kekulé spiral ground state. We further demonstrate non-equilibrium control of the isospin orders previously found around integer fillings. Specifically, through ultrafast manipulation, it can be transiently shifted away from integer fillings. Our study demonstrates a unique probe of collective excitations in MATBG and paves the way for actively controlling non-equilibrium phenomena in moiré systems.

Data-driven wall modeling for LES involving non-equilibrium boundary layer effects

PurposeWall-modeled large eddy simulation (LES) is a practical tool for solving wall-bounded flows with less computational cost by avoiding the explicit resolution of the near-wall region. However, its use is limited in flows that have high non-equilibrium effects like separation or transition. This study aims to present a novel methodology of using high-fidelity data and machine learning (ML) techniques to capture these non-equilibrium effects.Design/methodology/approachA precursor to this methodology has already been tested in Radhakrishnan et al. (2021) for equilibrium flows using LES of channel flow data. In the current methodology, the high-fidelity data chosen for training includes direct numerical simulation of a double diffuser that has strong non-equilibrium flow regions, and LES of a channel flow. The ultimate purpose of the model is to distinguish between equilibrium and non-equilibrium regions, and to provide the appropriate wall shear stress. The ML system used for this study is gradient-boosted regression trees.FindingsThe authors show that the model can be trained to make accurate predictions for both equilibrium and non-equilibrium boundary layers. In example, the authors find that the model is very effective for corner flows and flows that involve relaminarization, while performing rather ineffectively at recirculation regions.Originality/valueData from relaminarization regions help the model to better understand such phenomenon and to provide an appropriate boundary condition based on that. This motivates the authors to continue the research in this direction by adding more non-equilibrium phenomena to the training data to capture recirculation as well.

Observation of Topological Transition in Floquet Non-Hermitian Skin Effects in Silicon Photonics.

Non-Hermitian physics has greatly enriched our understanding of nonequilibrium phenomena and uncovered novel effects such as the non-Hermitian skin effect (NHSE) that has profoundly revolutionized the field. NHSE has been predicted in systems with nonreciprocal couplings which, however, are challenging to realize in experiments. Without nonreciprocal couplings, the NHSE can also emerge in systems with coexisting gauge fields and loss or gain (e.g., in Floquet non-Hermitian systems). However, such Floquet NHSE remains largely unexplored in experiments. Here, we realize the Floquet NHSEs in periodically modulated optical waveguides integrated on a silicon photonic platform. By engineering the artificial gauge fields induced by the periodical modulation, we observe various Floquet NHSE phases and unveil their rich topological transitions. Remarkably, we discover the transitions between the unipolar NHSE phases and an unconventional bipolar NHSE phase, which is accompanied by the directional reversal of the NHSEs. The underlying physics is revealed by the band winding in complex quasienergy space which undergoes a topology change from isolated loops with the same winding to linked loops with opposite windings. Our work unfolds a new route toward Floquet NHSEs originating from the interplay between gauge fields and dissipation effects, and thus offers fundamentally new ways for steering light and other waves.

Seeking non-Fourier heat transfer with ultrabroad band thermoreflectance spectroscopy

Studying superdiffusive thermal transport is crucial for advanced thermal management in electronics and nanotechnology, ensuring devices run efficiently and reliably. Such study also contributes to the design of high-performance thermoelectric materials and devices, thereby improving energy efficiency. This work leads to a better understanding of fundamental physics and non-equilibrium phenomena, fostering innovations in numerous scientific and engineering fields. We are showing, from a one shot experiment, that clear deviations from classical Fourier behavior are observed in a semiconductor alloy such as InGaAs. These deviations are a signature of the competition that takes place between ballistic and diffusive heat transfers. Thermal propagation is modelled by a truncated Lévy model. This approach is used to analyze this ballistic-diffusive transition and to determine the thermal properties of InGaAs. The experimental part of this work is based on a combination of time-domain and frequency-domain thermoreflectance methods with an extended bandwidth ranging from a few kHz to 100 GHz. This unique wide-bandwidth configuration allows a clear distinction between Fourier diffusive and non-Fourier superdiffusive heat propagation in semiconductor materials. For diffusive processes, we also demonstrate our ability to simultaneously measure the thermal conductivity, heat capacity and interface thermal resistance of several materials over 3 decades of thermal conductivity.

Inhomogeneous quenches as state preparation in two-dimensional conformal field theories

The nonequilibrium process where the system does not evolve to the featureless state, that without quantum properties, is one of the new central objects in the nonequilibrium phenomena. In this paper, starting from the short-range entangled state in the two-dimensional conformal field theories (2D CFTs), the boundary state with a regularization, we evolve the system with the inhomogeneous Hamiltonians called Möbius/sine-square-deformed (SSD) ones. Regardless of the details of CFTs considered in this paper, during the Möbius evolution, the entanglement entropy exhibits the periodic motion called quantum revival. During SSD time evolution, except for some subsystems, in the large time regime, entanglement entropy and mutual information are approximated by those for the vacuum state. We argue the time regime for the subsystem to cool down to vacuum one is t1≫O(LlA), where t1, L, and lA are time, system, and subsystem sizes. This finding suggests the inhomogeneous quench induced by the SSD Hamiltonian may be used as the preparation for the approximately vacuum state. We propose the gravity dual of the systems considered in this paper, furthermore, and generalize it. In addition to them, we discuss the relation between the inhomogeneous quenches and continuous multiscale entanglement renormalization ansatz (cMERA). Published by the American Physical Society 2024