We develop molecular transport simulation methods that simultaneously deal with gas- and surface-phase diffusions to determine the effect of surface diffusion on the overall diffusion coefficients. The phenomenon of surface diffusion is incorporated into the test particle method and the mean square displacement method, which are typically employed only for gas-phase transport. It is found that for a simple cylindrical pore, the diffusion coefficients in the presence of surface diffusion calculated by these two methods show good agreement. We also confirm that both methods reproduce the analytical solution. Then, the diffusion coefficients for ink-bottle-shaped pores are calculated using the developed method. Our results show that surface diffusion assists molecular transport in the gas phase. Moreover, the surface tortuosity factor, which is known to be uniquely determined by physical structure, is influenced by the presence of gas-phase diffusion. This mutual influence of gas-phase diffusion and surface diffusion indicates that their simultaneous calculation is necessary for an accurate evaluation of the diffusion coefficients.

In this work we compute the main features of a surface-wave-driven plasma in argon at atmospheric pressure in view of a better understanding of the contraction phenomenon. We include the detailed chemical kinetics dynamics of Ar and solve the mass conservation equations of the relevant neutral excited and charged species. The gas temperature radial profile is calculated by means of the thermal diffusion equation. The electric field radial profile is calculated directly from the numerical solution of the Maxwell equations assuming the surface wave to be propagating in the ${\mathrm{TM}}_{00}$ mode. The problem is considered to be radially symmetrical, the axial variations are neglected, and the equations are solved in a self-consistent fashion. We probe the model results considering three scenarios: (i) the electron energy distribution function (EEDF) is calculated by means of the Boltzmann equation; (ii) the EEDF is considered to be Maxwellian; (iii) the dissociative recombination is excluded from the chemical kinetics dynamics, but the nonequilibrium EEDF is preserved. From this analysis, the dissociative recombination is shown to be the leading mechanism in the constriction of surface-wave plasmas. The results are compared with mass spectrometry measurements of the radial density profile of the ions ${\mathrm{Ar}}^{+}$ and ${\mathrm{Ar}}_2^{+}$. An explanation is proposed for the trends seen by Thomson scattering diagnostics that shows a substantial increase of electron temperature towards the plasma borders where the electron density is small.

We provide evidence that randomized low-rank factorization is a powerful tool for the determination of the ground-state properties of low-dimensional lattice Hamiltonians through tensor network techniques. In particular, we show that randomized matrix factorization outperforms truncated singular value decomposition based on state-of-the-art deterministic routines in time-evolving block decimation (TEBD)– and density matrix renormalization group (DMRG)–style simulations, even when the system under study gets close to a phase transition: We report linear speedups in the bond or local dimension of up to 24 times in quasi-two-dimensional cylindrical systems.

A growing body of literature examines the effects of superdiffusive subballistic movement premeasurement (aging or time lag) on observations arising from single-particle tracking. A neglected aspect is the finite lifetime of these Lévy walkers, be they proteins, cells, or larger structures. We examine the effects of aging on the motility of mortal walkers, and discuss the means by which permanent stopping of walkers may be categorized as arising from “natural” death or experimental artifacts such as low photostability or radiation damage. This is done by comparison of the walkers' mean squared displacement (MSD) with the front velocity of propagation of a group of walkers, which is found to be invariant under time lags. For any running time distribution of a mortal random walker, the MSD is tempered by the stopping rate $\theta$. This provides a physical interpretation for truncated heavy-tailed diffusion processes and serves as a tool by which to better classify the underlying running time distributions of random walkers. Tempering of aged MSDs raises the issue of misinterpreting superdiffusive motion which appears Brownian or subdiffusive over certain time scales.

We study the connection between multifractality and crucial events. Multifractality is frequently used as a measure of physiological variability, where crucial events are known to play a fundamental role in the transport of information between complex networks. To establish the connection of interest we focus on the special case of heartbeat time series and on the search for a diagnostic prescription to distinguish healthy from pathologic subjects. Over the past 20 years two apparently different diagnostic techniques have been established: the first is based on the observation that the multifractal spectrum of healthy patients is broader than the multifractal spectrum of pathologic subjects; the second is based on the observation that heartbeat dynamics are a superposition of crucial and uncorrelated Poisson-like events, with pathologic patients hosting uncorrelated Poisson-like events with larger probability than the healthy patients. In this paper, we prove that increasing the percentage of uncorrelated Poisson-like events hosted by heartbeats has the effect of making their multifractal spectrum narrower, thereby establishing that the two different diagnostic techniques are compatible with one another and, at the same time, establishing a dynamic interpretation of multifractal processes that had been previously overlooked.

We analyze the coalescing model where a ‘primary’ colony grows and randomly emits secondary colonies that spread and eventually coalesce with it. This model describes population proliferation in theoretical ecology, tumor growth, and is also of great interest for modeling urban sprawl. Assuming the primary colony to be always circular of radius $r\left(t\right)$ and the emission rate proportional to $r{\left(t\right)}^{\theta }$, where $\theta >0$, we derive the mean-field equations governing the dynamics of the primary colony, calculate the scaling exponents versus $\theta$, and compare our results with numerical simulations. We then critically test the validity of the circular approximation for the colony shape and show that it is sound for a constant emission rate ($\theta =0$). However, when the emission rate is proportional to the perimeter, the circular approximation breaks down and the roughness of the primary colony cannot be discarded, thus modifying the scaling exponents.

Public water supply is one of the society's most vital resources and most costly infrastructures. Traditional concepts of these networks capture their engineering identity as isolated, deterministic hydraulic units, but overlook their physics identity as related entities in a probabilistic, geographic ensemble, characterized by size organization and property scaling. Although discoveries of allometric scaling in natural supply networks (organisms and rivers) raised the prospect for similar findings in anthropogenic supplies, so far such a finding has not been reported in public water or related civic resource supplies. Examining an empirical ensemble of large number and wide size range, we show that water supply networks possess self-organized size abundance and theory-explained allometric scaling in spatial, infrastructural, and resource- and emission-flow properties. These discoveries establish scaling physics for water supply networks and may lead to novel applications in resource- and jurisdiction-scale water governance.

The effect of a confining boundary on the spatial variations in granular temperature of a driven quasi-two-dimensional layer of particles is investigated experimentally. The radial drop in the relative granular temperature $\mathrm{\Delta }T/T$ exhibits a maximum at intermediate particle numbers which coincides with a crossover from kinetic to collisional transport of energy. It is also found that at low particle numbers, the distributions of radial velocities are increasingly asymmetric as one approaches the boundary. The radial and tangential granular temperatures split, and in the tails of the radial velocity distribution there is a higher population of fast moving particles traveling away rather than towards the boundary.

We present numerical simulations of the three-dimensional Galerkin truncated incompressible Euler equations that we integrate in time while regularizing the solution by applying a wavelet-based denoising. For this, at each time step, the vorticity field is decomposed into wavelet coefficients, which are split into strong and weak coefficients, before reconstructing them in physical space to obtain the corresponding coherent and incoherent vorticities. Both components are multiscale and orthogonal to each other. Then, by using the Biot-Savart kernel, one obtains the coherent and incoherent velocities. Advancing the coherent flow in time, while filtering out the noiselike incoherent flow, models turbulent dissipation and corresponds to an adaptive regularization. To track the flow evolution in both space and scale, a safety zone is added in wavelet coefficient space to the coherent wavelet coefficients. It is shown that the coherent flow indeed exhibits an intermittent nonlinear dynamics and a $k^{-5/3}$ energy spectrum, where $k$ is the wave number, characteristic of three-dimensional homogeneous isotropic turbulence. Finally, we compare the dynamical and statistical properties of Euler flows subjected to four kinds of regularizations: dissipative (Navier-Stokes), hyperdissipative (iterated Laplacian), dispersive (Euler-Voigt), and wavelet-based regularizations.

In this work we study an effective three-mode model describing interacting bosons. These bosons can be considered as exciton-polaritons in a semiconductor microcavity at the magic angle. This model exhibits quantum phase transition (QPT) when the parameters of the corresponding Hamiltonian are continuously varied. The properties of the Hamiltonian spectrum (e.g., the distance between two adjacent energy levels) and the phase space structure of the thermodynamic limit of the model are used to indicate QPT. The relation between spectral properties of the Hamiltonian and the corresponding classical frame of the thermodynamic limit of the model is established as indicative of QPT. The average number of bosons in a specific mode and the entanglement properties of the ground state as functions of the parameters are used to characterize the order of the transition and also to construct a phase diagram. Finally, we verify our results for experimental data obtained for a setting of exciton-polaritons in a semiconductor microcavity.

We analyze a one-dimensional spin-string model, in which string oscillators are linearly coupled to their two nearest neighbors and to Ising spins representing internal degrees of freedom. String-spin coupling induces a long-range ferromagnetic interaction among spins that competes with a spin-spin antiferromagnetic coupling. As a consequence, the complex phase diagram of the system exhibits different flat rippled and buckled states, with first or second order transition lines between states. This complexity translates to the two-dimensional version of the model, whose numerical solution has been recently used to explain qualitatively the rippled to buckled transition observed in scanning tunneling microscopy experiments with suspended graphene sheets. Here we describe in detail the phase diagram of the simpler one-dimensional model and phase stability using bifurcation theory. This gives additional insight into the physical mechanisms underlying the different phases and the behavior observed in experiments.

Bridging the second law of thermodynamics and microscopic reversible dynamics has been a longstanding problem in statistical physics. Here, we address this problem on the basis of quantum many-body physics, and discuss how the entropy production saturates in isolated quantum systems under unitary dynamics. First, we rigorously prove that the entropy production does indeed saturate in the long time regime, even when the total system is in a pure state. Second, we discuss the non-negativity of the entropy production at saturation, implying the second law of thermodynamics. This is based on the eigenstate thermalization hypothesis, which states that even a single energy eigenstate is thermal. We also numerically demonstrate that the entropy production saturates at a non-negative value even when the initial state of a heat bath is a single energy eigenstate. Our results reveal fundamental properties of the entropy production in isolated quantum systems at late times.

The probability of large deviations of the smallest Schmidt eigenvalue for random pure states of bipartite systems, denoted as $A$ and $B$, is computed analytically using a Coulomb gas method. It is shown that this probability, for large $N$, goes as $exp[-\beta N^2\mathrm{\Phi }\left(\zeta \right)]$, where the parameter $\beta$ is the Dyson index of the ensemble, $\zeta$ is the large deviation parameter, while the rate function $\mathrm{\Phi }\left(\zeta \right)$ is calculated exactly. Corresponding equilibrium Coulomb charge density is derived for its large deviations. Effects of the large deviations of the extreme (largest and smallest) Schmidt eigenvalues on the bipartite entanglement are studied using the von Neumann entropy. Effect of these deviations is also studied on the entanglement between subsystems 1 and 2, obtained by further partitioning the subsystem $A$, using the properties of the density matrix's partial transpose ${\rho }_{12}^{\mathrm{\Gamma }}$. The density of states of ${\rho }_{12}^{\mathrm{\Gamma }}$ is found to be close to the Wigner's semicircle law with these large deviations. The entanglement properties are captured very well by a simple random matrix model for the partial transpose. The model predicts the entanglement transition across a critical large deviation parameter $\zeta$. Log negativity is used to quantify the entanglement between subsystems 1 and 2. Analytical formulas for it are derived using the simple model. Numerical simulations are in excellent agreement with the analytical results.

Hydrodynamic fluctuations in simple fluids under shear flow are demonstrated to be spatially correlated, in contrast to the fluctuations at equilibrium, using mesoscopic hydrodynamic simulations. The simulation results for the equal-time hydrodynamic correlations in a multiparticle collision dynamics (MPC) fluid in shear flow are compared with the explicit expressions obtained from fluctuating hydrodynamics calculations. For large wave vectors $k$, the nonequilibrium contributions to transverse and longitudinal velocity correlations decay as $k^{-4}$ for wave vectors along the flow direction and as $k^{-2}$ for the off-flow directions. For small wave vectors, a crossover to a slower decay occurs, indicating long-range correlations in real space. The coupling between the transverse velocity components, which vanishes at equilibrium, also exhibits a $k^{-2}$ dependence on the wave vector. In addition, we observe a quadratic dependency on the shear rate of the nonequilibrium contribution to pressure.

We perform a computational fluid dynamics simulation of trivalent terbium [Tb(III)] ion line emissions from single-bubble sonoluminescence (SBSL). Our simulation includes dynamic boundary conditions as well as the effects of gas properties and quenching by species, such as nitrite ion (${\mathrm{NO}}_2^{-}$). Simulation results demonstrate that when the maximum temperature inside a dimly luminescing bubble is relatively low, emission peaks from excited Tb(III) ions are prominent within the emission spectra. As the maximum temperature of the bubble increases, emission peaks of Tb(III) ions fade away relative to the continuum background emission. These calculations match observations of Tb(III) line emissions from SBSL occurring in aqueous solutions of terbium nitrate $\left[\mathrm{Tb}{\left({\mathrm{NO}}_3\right)}_3\right]$ under an argon gas atmosphere. The evolution of the radiation energy spectrum over time for sonoluminescing bubbles provides a clear mechanism explaining Tb(III) emission peaks gradually merging into the continuous background emission as the radiation power increases.

We propose a constitutive model to describe the nonlocality, hysteresis, and several flow features of dry granular materials. Taking the well-known inertial number $I$ as a measure of sheared-induced local fluidization, we derive a relaxation model for $I$ according to the evolution of microstructure during avalanche and dissipation processes. The model yields a nonmonotonic flow law for a homogeneous flow, accounting for hysteretic solid-fluid transition and intermittency in quasistatic flows. For an inhomogeneous flow, the model predicts a generalized Bagnold shear stress revealing the interplay of two microscopic nonlocal mechanisms: collisions among correlated structures and the diffusion of fluidization within the structures. In describing a uniform flow down an incline, the model reproduces the hysteretic starting and stopping heights and the Pouliquen flow rule for mean velocity. Moreover, a dimensionless parameter reflecting the nonlocal effect on the flow is discovered, which controls the transition between Bagnold and creeping flow dynamics.

The interactions following a reentrant phase transition of charged silica nanoparticles from one phase to two phases and back to one phase by varying the concentration of multivalent counterions have been examined. The observations are far beyond the framework of Debye-Hückel or even nonlinear Poisson-Boltzmann equations and demonstrate the universal behavior of multivalent counterion-driven charge inversion. We show that the interplay of multivalent counterion-induced short-range attraction and long-range electrostatic repulsion between nanoparticles results in reentrant phase behavior.