In finite-dimensional, chaotic, Lorenz-like wave-particle dynamical systems one can find diffusive trajectories, which share their appearance with that of laminar chaotic diffusion [Phys. Rev. Lett. 128, 074101 (2022)] known from delay systems with lag-time modulation. Applying, however, to such systems a test for laminar chaos, as proposed in [Phys. Rev. E 101, 032213 (2020)], these signals fail such a test, thus leading to the notion of pseudolaminar chaos. The latter can be interpreted as integrated periodically driven on-off intermittency. We demonstrate that, on a signal level, true laminar and pseudolaminar chaos are hardly distinguishable in systems with and without dynamical noise. However, very pronounced differences become apparent when correlations of signals and increments are considered. We compare and contrast these properties of pseudolaminar chaos with true laminar chaos.

We measure different contributions to entropy production in a living functional epithelial tissue. We do this by extracting the functional dynamics of development while at the same time quantifying fluctuations. Using the translucent Drosophila melanogaster pupal epithelium as an ideal tissue for high-resolution live imaging, we measure the entropy associated with the stochastic geometry of cells in the epithelium. This is done using a detailed analysis of the dynamics of the shape and orientation of individual cells which enables separation of local and global aspects of the tissue behavior. Intriguingly, we find that we can observe irreversible dynamics in the cell geometries but without a change in the entropy associated with those degrees of freedom, showing that there is a flow of energy into those degrees of freedom. Hence, the living system is controlling how the entropy is being produced and partitioned into its different parts.

High-resolution calorimetry has played a significant role in providing detailed information on phase transitions in liquid crystals. In particular, adiabatic scanning calorimetry (ASC), capable of providing simultaneous information on the temperature dependence of the specific enthalpy $h\left(T\right)$ and on the specific heat capacity $c_p\left(T\right)$, has proven to be an important tool to determine the order of transitions and render high-resolution information on pretransitional thermal behavior. Here we report on ASC results on the compound 2,3′,4′,5′-tetrafluoro[1,1′-biphenyl]-4-yl 2,6-difluoro-4-(5-propyl-1,3-dioxan-2-yl) benzoate (DIO) and on mixtures with 4-[(4-nitrophenoxy)carbonyl]phenyl 2,4-dimethoxybenzoate (RM734). Both compounds exhibit a low-temperature ferroelectric nematic phase ($N_F$) and a high-temperature paraelectric nematic phase $\left(N\right)$. However, in DIO these two phases are separated by an intermediate phase ($N_x$). From the detailed data of $h\left(T\right)$ and $c_p\left(T\right)$, we found that the intermediate phase was present in all the mixtures over the complete composition range, albeit with strongly decreasing temperature width for that phase with decreasing mole fraction of DIO ($x_{\mathrm{DIO}}$). The $x_{\mathrm{DIO}}$ dependence on the transition temperatures for both transitions could be well described by a quadratic function. Both these transitions were weakly first order. The true latent heat of the $N_x\text{−}N$ transition of DIO was as low as $L=0.0075\pm 0.0005\mathrm{J}/\mathrm{g}$ and $L=0.23\pm 0.03\mathrm{J}/\mathrm{g}$ for the $N_F\text{−}{N}_x$ transition, which is about twice the previously reported value of 0.115 J/g for the $N_F\text{−}N$ transition in RM734. In the mixtures both transition latent heats decrease gradually with decreasing $x_{\mathrm{DIO}}$. At all the $N_x\text{−}N$ transitions pretransition fluctuation effects are absent and these transitions are purely but very weakly first order. As in RM734 the transition from the $N_F$ to the higher-temperature phase exhibits substantial pretransitional behavior, in particular, in the high-temperature phase. Power-law analysis of $c_p\left(T\right)$ resulted in an effective critical exponent $\alpha =0.88\pm 0.1$ for DIO and this value decreased in the mixtures with decreasing $x_{\mathrm{DIO}}$ toward $\alpha =0.50\pm 0.05$ reported for RM734. Ideal mixture analysis of the phase diagram was consistent with ideal mixture behavior provided the total transition enthalpy change was used in the analysis.

Using a simplified model for a non-Brownian suspension, we numerically study the response of athermal, overdamped, frictionless disks in two dimensions to isotropic and uniaxial compression, as well as to pure and simple shearing, all at finite constant strain rates $\dot{\epsilon }$. We show that isotropic and uniaxial compression result in the same jamming packing fraction ${\varphi }_J$, while pure-shear- and simple-shear-induced jamming occurs at a slightly higher ${\varphi }_J^{*}$, consistent with that found previously for simple shearing. A critical scaling analysis of pure shearing gives critical exponents consistent with those previously found for both isotropic compression and simple shearing. Using orientational order parameters for contact bond directions, we compare the anisotropy of the force and contact networks at both lowest nematic order, as well as higher $2n$-fold order.

Electron-proton energy relaxation rates are assessed using molecular dynamics (MD) simulations in weakly-coupled hydrogen plasmas. To this end, we use various approaches to extract the energy relaxation rate from MD-simulated temperatures, and we find that existing extracting approaches may yield results with a sizable discrepancy larger than the variance between analytical models, which is further verified by well-known case studies. Present results show that two of the extracting approaches can produce identical results, which is attributed to a proper treatment of relaxation evolution. To discriminate the use of various methods, an empirical criterion with respect to initial plasma temperatures is proposed, which can self-consistently explain the cases considered. In addition, for a transient electron-proton plasma, we show that it is possible to extrapolate the Coulomb logarithm from that derived by initial plasma parameters in a single MD calculation, which is reasonably consistent with previous MD data. Our results are helpful to obtain accurate MD-based energy relaxation rates.

We provide a deepened study of autocorrelations in neural Markov chain Monte Carlo (NMCMC) simulations, a version of the traditional Metropolis algorithm which employs neural networks to provide independent proposals. We illustrate our ideas using the two-dimensional Ising model. We discuss several estimates of autocorrelation times in the context of NMCMC, some inspired by analytical results derived for the Metropolized independent sampler (MIS). We check their reliability by estimating them on a small system where analytical results can also be obtained. Based on the analytical results for MIS, we propose a loss function and study its impact on the autocorrelation times. Although, this function's performance is a bit inferior to the traditional Kullback-Leibler divergence, it offers two training algorithms which in some situations may be beneficial. By studying a small $4\times 4$ system, we gain access to the dynamics of the training process, which we visualize using several observables. Furthermore, we quantitatively investigate the impact of imposing global discrete symmetries of the system in the neural network training process on the autocorrelation times. Eventually, we propose a scheme which incorporates partial heat-bath updates, which considerably improves the quality of the training. The impact of the above enhancements is discussed for a $16\times 16$ spin system. The summary of our findings may serve as guidance to the implementation of NMCMC simulations for more complicated models.

Diffusion through semipermeable interfaces has a wide range of applications, ranging from molecular transport through biological membranes to reverse osmosis for water purification using artificial membranes. At the single-particle level, one-dimensional diffusion through a barrier with constant permeability ${\kappa }_0$ can be modeled in terms of so-called snapping out Brownian motion (BM). The latter sews together successive rounds of partially reflected BMs that are restricted to either the left or right of the barrier. Each round is killed (absorbed) at the barrier when its Brownian local time exceeds an exponential random variable parameterized by ${\kappa }_0$. A new round is then immediately started in either direction with equal probability. It has recently been shown that the probability density for snapping out BM satisfies a renewal equation that relates the full density to the probability densities of partially reflected BM on either side of the barrier. Moreover, generalized versions of the renewal equation can be constructed that incorporate non-Markovian, encounter-based models of absorption. In this paper we extend the renewal theory of snapping out BM to single-particle diffusion in bounded domains and higher spatial dimensions. In each case we show how the solution of the renewal equation satisfies the classical diffusion equation with a permeable boundary condition at the interface. That is, the probability flux across the interface is continuous and proportional to the difference in densities on either side of the interface. We also consider an example of an asymmetric interface in which the directional switching after each absorption event is biased. Finally, we show how to incorporate an encounter-based model of absorption for single-particle diffusion through a spherically symmetric interface. We find that, even when the same non-Markovian model of absorption applies on either side of the interface, the resulting permeability is an asymmetric time-dependent function with memory. Moreover, the permeability functions tend to be heavy tailed.

The dissipation function for a system is defined as the natural logarithm of the ratio between probabilities of a trajectory and its time-reversed trajectory, and its probability distribution follows a well-known relation called the fluctuation theorem. Using the generic Langevin equations, we derive the expressions of the dissipation function for passive and active systems. For passive systems, the dissipation function depends only on the initial and the final values of the dynamical variables of the system, not on the trajectory of the system. Furthermore, it does not depend explicitly on the reactive or dissipative coupling coefficients of the generic Langevin equations. In addition, we study a one-dimensional case numerically to verify the fluctuation theorem with the form of the dissipation function we obtained. For active systems, we define the work done by active forces along a trajectory. If the probability distribution of the dynamical variables is symmetric under time reversal, in both cases, the average rate of change of the dissipation function with trajectory duration is nothing but the average entropy production rate of the system and reservoir.

In this work, we use the basic ingredients of chaotic dynamics (stretching and folding of phase space points) for the characterization of the complexity of microscopy images of rough surfaces. The key idea is to use an image as the initial condition of a chaotic discrete dynamical system, such as the Arnold cat map, and track its transformations during the first iterations of the map. Since the basic effects of the Arnold map are the stretching and folding of image texture, the application of the map leads to an enhancement of the high frequency content of images along with an increase of discontinuities in pixel intensities. We exploit these effects to quantify the complexity of $S$ type (lying between homogeneity and randomness) of the image texture since the first (enhancement of high frequencies) can be used to quantify the distance of texture from randomness and noise and the second (the proliferation of discontinuities) the distance from order and homogeneity. The method is validated in synthetic images which are generated from computer generated surfaces with controlled correlation length and fractal dimension and it is applied in real images of nanostructured surfaces obtained from a scanning electron microscope with very interesting results.

A method is proposed to detect the dynamical instability of complex time series. We focus on how the partitioned entropy of an initially localized region of the attractor evolves in time and show that its growth rate corresponds to the first Lyapunov exponent. To avoid spurious detection of the dynamical instability, a criterion is further introduced to distinguish chaos from limit cycles or tori. Numerical experiments using prototypical models of chaotic systems demonstrate that the growth rate of the partitioned entropy indeed provides a good estimate of the first Lyapunov exponent. The method is also shown to be robust against observational noise and dynamical noise. Analysis of experimental data measured from a physical model of the vocal folds highlights the practical applicability of the present method to real-world data. Advantages of the present method over conventional methods are also discussed.

Strongly confined colloidal dispersions under shear can exhibit a variety of dynamical phenomena, including depinning transitions and complex structural changes. Here, we investigate the behavior of such systems under pure oscillatory shearing with shear rate $\dot{\gamma }\left(t\right)={\dot{\gamma }}_{0}cos\left(\omega t\right)$, as it is a common scenario in rheological experiments. The colloids' depinning behavior is assessed from a particle level based on trajectories, obtained from overdamped Brownian dynamics simulations. The numerical approach is complemented by an analytic one based on an effective single-particle model in the limits of weak and strong driving. Investigating a broad spectrum of shear rate amplitudes ${\dot{\gamma }}_0$ and frequencies $\omega$, we observe complete pinning as well as temporary depinning behavior. We discover that temporary depinning occurs for shear rate amplitudes above a frequency-dependent critical amplitude ${\dot{\gamma }}_0^{\mathrm{crit}}\left(\omega \right)$, for which we attain an approximate functional expression. For a range of frequencies, approaching ${\dot{\gamma }}_0^{\mathrm{crit}}\left(\omega \right)$ is accompanied by a strongly increasing settling time. Above ${\dot{\gamma }}_0^{\mathrm{crit}}\left(\omega \right)$, we further observe a variety of dynamical structures, whose stability exhibits an intriguing (${\dot{\gamma }}_0,\omega$) dependence. This might enable new perspectives for potential control schemes.

The energy diffusion process in a few two-dimensional Fermi-Pasta-Ulam-type lattices is numerically simulated via the equilibrium local energy spatiotemporal correlation. Just as the nonlinear fluctuating hydrodynamic theory suggested, the diffusion propagator consists of a bell-shaped central heat mode and a sound mode extending with a constant speed. The profiles of the heat and sound modes satisfy the scaling properties from a random-walk-with-velocity-fluctuation process very well. An effective phonon approach is proposed, which expects the frequencies of renormalized phonons as well as the sound speed with quite good accuracy. Since many existing analytical and numerical studies indicate that heat conduction in such two-dimensional momentum-conserving lattices is divergent and the thermal conductivity $\kappa$ increases logarithmically with lattice length, it is expected that the mean-square displacement of energy diffusion grows as $tlnt$. Discrepancies, however, are noticeably observed.

Deformable nanoparticles (NPs) offer unprecedented opportunities as dynamic building blocks that can spontaneously reconfigure during assembly in response to environmental cues. Designing reconfigurable materials based on deformable NPs hinges on an understanding of the shapes that can be engineered in these NPs. We solve for the low-energy shapes of charge-patterned deformable NPs by using molecular dynamics-based simulated annealing to minimize a coarse-grained model Hamiltonian characterized with NP elastic and electrostatic energies subject to a volume constraint. We show that deformable spherical NPs of radius 50 nm whose surface is tailored with octahedrally distributed charged patches and double-cap charged patches adapt their shape differently in response to changes in surface charge coverage and ionic strength. We find shape transitions to rounded octahedra, faceted octahedra, faceted bowls, oblate spheroids, spherocylinders, dented beans, and dimpled rounded bowls. We demonstrate that similar shape transitions can be achieved in deformable NPs of different sizes. The effects of counterion condensation on the free-energetic drive associated with the observed deformations are examined via Manning model calculations that utilize simulation-derived estimates for the NP Coulomb energy under salt-free conditions. The charge-pattern-based shape control of deformable NPs has implications for the design of responsive nanocontainers and for assembling reconfigurable materials whose functionality hinges on the shape-shifting properties of their nanoscale building blocks.

The Brownian motion of a single particle is a paradigmatic model of the nonequilibrium dynamics of dissipative systems. In the system-plus-reservoir approach, one can derive the particle's equations of motion from the reversible dynamics of the system coupled to a bath of oscillators representing its thermal environment. However, extending the system-plus-reservoir approach to multiple particles in a collective environment is not straightforward, and conflicting models have been proposed to that end. Here, we set out to reconcile some aspects of the nonlinear and the bilinear models of two Brownian particles. We show how the nonlinear dissipation originally derived from exponential system-reservoir couplings can alternatively be obtained from the bilinear Lagrangian, with a modified spectral function that explicitly depends on the distance between the particles. We discuss applications to the contexts of anomalous diffusion and of hydrodynamic interactions. Our results thus broaden the applicability of the bilinear model.

Master equations under appropriate assumptions are efficient tools for the study of open quantum systems. For many-body systems, subsystems of which locally couple to thermal baths and weakly interact with each other, the local approach provides a more convenient description than the global approach. However, these local master equations are believed to generate inconsistencies with the laws of thermodynamics when intersubsystem interactions exist. Here we develop an alternative local master equation by virtue of similar approximations used in deriving the traditional Gorini-Kossakowski-Lindblad-Sudarshan master equation. In particular, we stick to using eigenstates of each subsystem to construct quantum jump operators, and the secular approximation is also employed to modify the intersubsystem interactions. Our results show that violations of thermodynamic laws will be avoided after correcting intersubsystem interactions. Finally, we study a two-qubit heat transfer model and this further shows the validity of our modified master equation.

Microswimmers exhibit more diverse behavior in quasi-two dimensions than in three dimensions. Such behavior remains elusive due to the analytical difficulty of dealing with two parallel solid boundaries. The existence of additional obstacles in quasi-two dimensional systems further complicates the analysis. Combining experiments and hydrodynamic simulations, we investigate how the spatial dimension affects the interactions between microswimmers and obstacles. We fabricated microscopic pillars in quasi-two dimensions by etching glass coverslips and observed bacterial swimming among the pillars. Bacteria got trapped around the circular pillars and the trapping efficiency increased as the quasi-two-dimensionality was increased or as the curvature of the pillars was decreased. Numerical simulations of the simplest situation of a confined squirmer showed anomalous increase of hydrodynamic attractions, establishing that the enhanced interaction is a universal property of quasi-two-dimensional microhydrodynamics. We also demonstrated that the local curvature of the obstacle controls the trapping efficiency by experiments with elliptic pillars.

By (i) highlighting the mitigation effect of strain rates on laminar flame instabilities and (ii) comparing peak growth rates of laminar flame instabilities with strain rates generated by small-scale turbulent eddies, a simple criterion of importance of the influence of the instabilities on an increase in premixed flame surface area in turbulent flows is suggested. The criterion implies that, even in lean hydrogen-air mixtures, laminar flame instabilities can significantly affect the flame area only in weak or moderate turbulence (the Karlovitz number defined using laminar flame speed, thermal flame thickness, and Kolmogorov time scale is on the order of 10 or less under room conditions).

In order to understand how close current layered implosions in indirect-drive inertial confinement fusion are to ignition, it is necessary to measure the level of alpha heating present. To this end, pairs of experiments were performed that consisted of a low-yield tritium–hydrogen–deuterium (THD) layered implosion and a high-yield deuterium–tritium (DT) layered implosion to validate experimentally current simulation-based methods of determining yield amplification. The THD capsules were designed to reduce simultaneously DT neutron yield (alpha heating) and maintain hydrodynamic similarity with the higher yield DT capsules. The ratio of the yields measured in these experiments then allowed the alpha heating level of the DT layered implosions to be determined. The level of alpha heating inferred is consistent with fits to simulations expressed in terms of experimentally measurable quantities and enables us to infer the level of alpha heating in recent high-performing implosions.

The lattice Boltzmann method (LBM) has been developed as a powerful solution method in computational fluid dynamics and heat transfer. However, the development of the LBM for solving radiative transfer problems has been far from perfect. This paper proposes a generalized form of the lattice Boltzmann model for the multidimensional radiative transfer equation (RTE) in irregular geometry with a graded index based on body-fitted coordinates. The macroscopic RTE is recovered from Chapman-Enskog analysis, which provides two possible procedures to formulate the Boltzmann equation in graded-index media and irregular geometries. These proposed models have been tested by considering one-and two-dimensional problems of the RTE, and the benchmark solutions reported in the literature were used for comparisons. Afterwards, the LBM is used to analyze the radiation transport in graded-index media for various forms of scattering law, refractive index, boundary reflection, laser and optical properties, and temperatures. The graded-index function and the geometry type have a significant effect on radiative transport in cases in which the refractive index matches or mismatches the boundary. It is also apparent that the developed LBM is an efficient, powerful, robust, and accurate solver for radiative transport in inhomogeneous media with a graded-index function and irregular geometries.

A system with an equal number of positive and negative charges confined in a box with a small but finite thickness is modeled as a function of temperature using mesoscale numerical simulations for various values of the charges. The Coulomb interaction is used in its three-dimensional form, $U\left(r\right)\sim 1/r$. A topological phase transition is found in this quasi-two-dimensional (2D) system. The translational order parameter, spatial correlation function, specific heat, and electric current show qualitatively different trends below and above a critical temperature. We find that a 2D logarithmic Coulomb interaction is not essential for the appearance of this transition. This work suggests new experimental tests of our predictions, as well as novel theoretical approaches to probe quasi-2D topological phase transitions.