Stochastic chemical reaction networks (CRNs) are complex systems that combine the features of concurrent transformation of multiple variables in each elementary reaction event and nonlinear relations between states and their rates of change. Most general results concerning CRNs are limited to restricted cases where a topological characteristic known as deficiency takes a value 0 or 1, implying uniqueness and positivity of steady states and surprising, low-information forms for their associated probability distributions. Here we derive equations of motion for fluctuation moments at all orders for stochastic CRNs at general deficiency. We show, for the standard base case of proportional sampling without replacement (which underlies the mass-action rate law), that the generator of the stochastic process acts on the hierarchy of factorial moments with a finite representation. Whereas simulation of high-order moments for many-particle systems is costly, this representation reduces the solution of moment hierarchies to a complexity comparable to solving a heat equation. At steady states, moment hierarchies for finite CRNs interpolate between low-order and high-order scaling regimes, which may be approximated separately by distributions similar to those for deficiency-zero networks and connected through matched asymptotic expansions. In CRNs with multiple stable or metastable steady states, boundedness of high-order moments provides the starting condition for recursive solution downward to low-order moments, reversing the order usually used to solve moment hierarchies. A basis for a subset of network flows defined by having the same mean-regressing property as the flows in deficiency-zero networks gives the leading contribution to low-order moments in CRNs at general deficiency, in a $1/n$ expansion in large particle numbers. Our results give a physical picture of the different informational roles of mean-regressing and non-mean-regressing flows and clarify the dynamical meaning of deficiency not only for first-moment conditions but for all orders in fluctuations.

We study inequivalence of canonical and microcanonical ensembles in the mean-field Blume-Emery-Griffiths model. This generalizes previous results obtained for the Blume-Capel model. The phase diagram strongly depends on the value of the biquadratic exchange interaction $K$, the additional feature present in the Blume-Emery-Griffiths model. At small values of $K$, as for the Blume-Capel model, lines of first- and second-order phase transitions between a ferromagnetic and a paramagnetic phase are present, separated by a tricritical point whose location is different in the two ensembles. At higher values of $K$ the phase diagram changes substantially, with the appearance of a triple point in the canonical ensemble, which does not find any correspondence in the microcanonical ensemble. Moreover, one of the first-order lines that starts from the triple point ends in a critical point, whose position in the phase diagram is different in the two ensembles. This line separates two paramagnetic phases characterized by a different value of the quadrupole moment. These features were not previously studied for other models and substantially enrich the landscape of ensemble inequivalence, identifying new aspects that had been discussed in a classification of phase transitions based on singularity theory. Finally, we discuss ergodicity breaking, which is highlighted by the presence of gaps in the accessible values of magnetization at low energies: it also displays new interesting patterns that are not present in the Blume-Capel model.

The ground-state energy splitting due to tunneling in two-dimensional double wells of the form $V(x,y)=\frac{{(x^2-R^2)}^2}{8R^2}+\frac{x^2-R^2}{R^2}\gamma y+\frac{{\omega }^2}{2}{y}^2$ is calculated. Several results are reported. First, we give a systematic WKB expansion of the splitting in series in powers of $R^{-2}$, each term of the series being a finite polynomial in ${\gamma }^2$. We find an ascending sequence of the values of the parameter $\gamma$ characterizing the curvature of the classical path, for which the successive corrections to the leading order vanish. This effect arises because curvature of the path and quantum nature of motion cancel each other; it does not appear for one-dimensional double wells. Second, we find that for large curvatures, such as for those describing the proton transfer in a malonaldehyde and hydroxalate anion, this expansion is of no practical use. Thus, the WKB expansion is reordered to a strong coupling form, each term of the series in powers of $R^{-2}$ being an infinite series in powers of ${\overline{\gamma }}^2$, $\overline{\gamma }=\gamma /R$. Third, we find that the radius of convergence of the series is determined by the singularity at ${\overline{\gamma }}_s=\omega /2$. At the singularity the system changes its character from being a double well to become a single well. Close to this singularity the classical action and its first quantum correction are found to be nonanalytic functions of $\overline{\gamma }$, most likely of the form ${[1-{(\overline{\gamma }/{\overline{\gamma }}_s)}^2]}^{\alpha }$, where $\alpha =1/2$ and $\alpha =-1/2$ for the classical action and its first quantum correction, respectively. Since in the semiclassical regime of large $R$ the splitting is exponentially dependent on the value of the classical action and its first quantum correction, close to the singularity we establish strong sensitivity of the splitting on slight variations of the parameter $\overline{\gamma }$ entering the Hamiltonian linearly.

The mesoscopic collective motion of self-propelling active particle suspension is experimentally investigated. The active particles are silica micro spheres with Au hemisphere coating, and their propelling strength is activated by laser irradiation. The suspension is driven from equilibrium to near equilibrium and far from equilibrium by tuning the excitation laser intensity. By use of the long-term particle tracking technique, the time evolution of a large amount of active particles is resolvable. For low laser intensity, the suspension is driven to near equilibrium state with homogeneous superdiffusion motion. The strength of enhanced superdiffusion is monotonically related to the laser intensity. For high laser intensity, the motility-induced phase separation with the coexistence of dense cluster and very dilute individual particle are observed. It leads to highly heterogeneous dynamic with less mobile jammed cluster and fast-moving particles and subsequently suppresses the enhanced superdiffusion. Such heterogeneous dynamics is similar to many far from equilibrium systems. Finally, the degree away from equilibrium (Gaussian dynamics) triggered by propelling strength is quantified by non-Gaussian parameters.

The temperature effect on the dynamics and geometry of a mercury droplet (∼150 μm) spreading on a silver substrate (4000 Å) was studied. The system temperature was controlled by a heating stage in the temperature range of −15 °C < T < 25 °C, and the spreading process was monitored using an optical microscope. We studied the wetting dynamics (droplet radius and velocity) as a function of temperature. We found that for all studied temperatures, the spreading radius R($t$) grows linearly with time, with a velocity value depending on temperature. We also studied the temperature effect on the kinetic roughening properties of the advancing interface (growth (β) and roughness (α) exponents). Our results show that the growth exponent increases with temperature while the roughness exponent is relatively constant. In addition, we obtained the system's activation energy at this temperature range.

A granular system composed of frictional glass beads is simulated using the discrete element method. The intergrain forces are based on the Hertz contact law in the normal direction with frictional tangential force. The damping due to collision is also accounted for. Systems are loaded at various stresses and their quasistatic elastic moduli are characterized. Each system is subjected to an extensive dynamic testing protocol by measuring the resonant response to a broad range of ac drive amplitudes and frequencies via a set of diagnostic strains. The system, linear at small ac drive amplitudes, has resonance frequencies that shift downward (i.e., modulus softening) with increased ac drive amplitude. Detailed testing shows that the slipping contact ratio does not contribute significantly to this dynamic modulus softening, but the coordination number is strongly correlated to this reduction. This suggests that the softening arises from the extended structural change via break and remake of contacts during the rearrangement of bead positions driven by the ac amplitude.

We focus on the response of mechanically stable (MS) packings of frictionless, bidisperse disks to thermal fluctuations, with the aim of quantifying how nonlinearities affect system properties at finite temperature. In contrast, numerous prior studies characterized the structural and mechanical properties of MS packings of frictionless spherical particles at zero temperature. Packings of disks with purely repulsive contact interactions possess two main types of nonlinearities, one from the form of the interaction potential (e.g., either linear or Hertzian spring interactions) and one from the breaking (or forming) of interparticle contacts. To identify the temperature regime at which the contact-breaking nonlinearities begin to contribute, we first calculated the minimum temperatures $T_{cb}$ required to break a single contact in the MS packing for both single- and multiple-eigenmode perturbations of the $T=0$ MS packing. We find that the temperature required to break a single contact for equal velocity-amplitude perturbations involving all eigenmodes approaches the minimum value obtained for a perturbation in the direction connecting disk pairs with the smallest overlap. We then studied deviations in the constant volume specific heat ${\overline{C}}_V$ and deviations of the average disk positions $\mathrm{\Delta }r$ from their $T=0$ values in the temperature regime $T_{{\overline{C}}_V}<T<T_r$, where $T_r$ is the temperature beyond which the system samples the basin of a new MS packing. We find that the deviation in the specific heat per particle $\mathrm{\Delta }{\overline{C}}_V^0/{\overline{C}}_V^0$ relative to the zero-temperature value ${\overline{C}}_V^0$ can grow rapidly above $T_{cb}$; however, the deviation $\mathrm{\Delta }{\overline{C}}_V^0/{\overline{C}}_V^0$ decreases as $N^{-1}$ with increasing system size. To characterize the relative strength of contact-breaking versus form nonlinearities, we measured the ratio of the average position deviations $\mathrm{\Delta }{r}^{ss}/\mathrm{\Delta }{r}^{ds}$ for single- and double-sided linear and nonlinear spring interactions. We find that $\mathrm{\Delta }{r}^{ss}/\mathrm{\Delta }{r}^{ds}>100$ for linear spring interactions is independent of system size. This result emphasizes that contact-breaking nonlinearities are dominant over form nonlinearities in the low-temperature range $T_{cb}<T<T_r$ for model jammed systems.

Within wall turbulence, there is a sublayer where the mean velocity and the variance of velocity fluctuations vary logarithmically with the height from the wall. This logarithmic scaling is also known for the mean concentration of a passive scalar. By using heat as such a scalar in a laboratory experiment of a turbulent boundary layer, the existence of the logarithmic scaling is shown here for the variance of fluctuations of the scalar concentration. It is reproduced by a model of energy-containing eddies that are attached to the wall.

Supercritical fluids when subjected to simultaneous quench and vibration have been known to cause various intriguing flow phenomena and instabilities depending on the relative direction of temperature gradient and vibration. Here we describe a surprising and interesting phenomenon wherein temperature in the fluid falls below the imposed boundary value when the walls are quenched and the direction of vibration is normal to the temperature gradient. We define these regions in the fluid as sink zones, because they act like sink for heat within the fluid domain. The formation of these zones is first explained using a one-dimensional (1D) analysis with acceleration in constant direction. Subsequently, the effect of various boundary conditions and the relative direction of the temperature gradient to acceleration are analyzed, highlighting the necessary conditions for the formation of sink zones. It is found that the effect of high compressibility and the action of self-weight (due to high acceleration) causes the temperature to change in the bulk besides the usual action of piston effect. This subsequently affects the overall temperature profile thereby leading to the formation of sink zones. Though the examined 1D cases differ from the current two-dimensional (2D) cases, owing to the direction of acceleration being normal as compared to parallel in case of former, the explanations pertaining to 1D cases are judiciously utilized to elucidate the formation of sink zones in 2D supercritical fluids subjected to thermal quench and vibrational acceleration. The appearance of sink zones is found to be dependent on several factors such as proximity to the critical point and acceleration. A surface three-dimensional plot illustrating the effect of these parameters on onset time of sink zones is presented to further substantiate these arguments.

The study of complex networks, and in particular of social networks, has mostly concentrated on relational networks, abstracting the distance between nodes. Spatial networks are, however, extremely relevant in our daily lives, and a large body of research exists to show that the distances between nodes greatly influence the cost and probability of establishing and maintaining a link. A random geometric graph (RGG) is the main type of synthetic network model used to mimic the statistical properties and behavior of many social networks. We propose a model, called REDS, that extends energy-constrained RGGs to account for the synergic effect of sharing the cost of a link with our neighbors, as is observed in real relational networks. We apply both the standard Watts-Strogatz rewiring procedure and another method that conserves the degree distribution of the network. The second technique was developed to eliminate unwanted forms of spatial correlation between the degree of nodes that are affected by rewiring, limiting the effect on other properties such as clustering and assortativity. We analyze both the statistical properties of these two network types and their epidemiological behavior when used as a substrate for a standard susceptible-infected-susceptible compartmental model. We consider and discuss the differences in properties and behavior between RGGs and REDS as rewiring increases and as infection parameters are changed. We report considerable differences both between the network types and, in the case of REDS, between the two rewiring schemes. We conclude that REDS represent, with the application of these rewiring mechanisms, extremely useful and interesting tools in the study of social and epidemiological phenomena in synthetic complex networks.

The thermally excited vortical flow in a microsized liquid crystal (LC) volume with a free LC-air interface has been investigated theoretically based on the nonlinear extension of the Ericksen-Leslie theory, with accounting the entropy balance equation. Analysis of the numerical results show that due to interaction between the gradients of the director field $\mathbf{\nabla }\widehat{\mathbf{\text{n}}}$ and temperature field $\mathbf{\nabla }T$, caused by the focused heating, the thermally excited vortical fluid flow is maintained in the vicinity of the heat source. Calculations show that the magnitude and direction of the velocity field $\mathbf{\text{v}}$, as well as the height of the LC-air interface are influenced by the depth of the heat penetration in the LC volume. It has been shown that there is the point in the vicinity of the LC-air interface where the thermally excited vortical flow changes the direction from anticlockwise to clockwise.

The thermodynamic theory of dislocation-enabled plasticity is based on two unconventional hypotheses. The first of these is that a system of dislocations, driven by external forces and irreversibly exchanging heat with its environment, must be characterized by a thermodynamically defined effective temperature that is not the same as the ordinary temperature. The second hypothesis is that the overwhelmingly dominant mechanism controlling plastic deformation is thermally activated depinning of entangled pairs of dislocations. This paper consists of a systematic reformulation of this theory followed by examples of its use in analyses of experimentally observed phenomena including strain hardening, grain-size (Hall-Petch) effects, yielding transitions, and adiabatic shear banding.

Self-gravitating isothermal supersonic turbulence is analyzed in the asymptotic limit of large Reynolds numbers. Based on the inviscid invariance of total energy, an exact relation is derived for homogeneous (not necessarily isotropic) turbulence. A modified definition for the two-point energy correlation functions is used to comply with the requirement of detailed energy equipartition in the acoustic limit. In contrast to the previous relations (S. Galtier and S. Banerjee, Phys. Rev. Lett. 107, 134501 (2011); S. Banerjee and S. Galtier, Phys. Rev. E 87, 013019 (2013)), the current exact relation shows that the pressure dilatation terms play practically no role in the energy cascade. Both the flux and source terms are written in terms of two-point differences. Sources enter the relation in a form of mixed second-order structure functions. Unlike the kinetic and thermodynamic potential energies, the gravitational contribution is absent from the flux term. An estimate shows that, for the isotropic case, the correlation between density and gravitational acceleration may play an important role in modifying the energy transfer in self-gravitating turbulence. The exact relation is also written in an alternative form in terms of two-point correlation functions, which is then used to describe scale-by-scale energy budget in spectral space.

Driven lattice gases are widely regarded as the paradigm of collective phenomena out of equilibrium. While such models are usually studied with nearest-neighbor interactions, many empirical driven systems are dominated by slowly decaying interactions such as dipole-dipole and Van der Waals forces. Motivated by this gap, we study the nonequilibrium stationary state of a driven lattice gas with slow-decayed repulsive interactions at zero temperature. By numerical and analytical calculations of the particle current as a function of the density and of the driving field, we identify (i) an abrupt breakdown transition between insulating and conducting states, (ii) current quantization into discrete phases where a finite current flows with infinite differential resistivity, and (iii) a fractal hierarchy of excitations, related to the Farey sequences of number theory. We argue that the origin of these effects is the competition between scales, which also causes the counterintuitive phenomenon that crystalline states can melt by increasing the density.

Quantum systems out of equilibrium are presently a subject of active research, both in theoretical and experimental domains. In this work, we consider time-periodically modulated quantum systems that are in contact with a stationary environment. Within the framework of a quantum master equation, the asymptotic states of such systems are described by time-periodic density operators. Resolution of these operators constitutes a nontrivial computational task. Approaches based on spectral and iterative methods are restricted to systems with the dimension of the hosting Hilbert space $\dim \mathcal{H}=N\lesssim 300$, while the direct long-time numerical integration of the master equation becomes increasingly problematic for $N\gtrsim 400$, especially when the coupling to the environment is weak. To go beyond this limit, we use the quantum trajectory method, which unravels the master equation for the density operator into a set of stochastic processes for wave functions. The asymptotic density matrix is calculated by performing a statistical sampling over the ensemble of quantum trajectories, preceded by a long transient propagation. We follow the ideology of event-driven programming and construct a new algorithmic realization of the method. The algorithm is computationally efficient, allowing for long “leaps” forward in time. It is also numerically exact, in the sense that, being given the list of uniformly distributed (on the unit interval) random numbers, $\{{\eta }_1,{\eta }_2,...,{\eta }_n\}$, one could propagate a quantum trajectory (with ${\eta }_i$'s as norm thresholds) in a numerically exact way. By using a scalable $N$-particle quantum model, we demonstrate that the algorithm allows us to resolve the asymptotic density operator of the model system with $N=2000$ states on a regular-size computer cluster, thus reaching the scale on which numerical studies of modulated Hamiltonian systems are currently performed.

In heterogeneous environments, the diffusivity is not constant but changes with time. It is important to detect changes in the diffusivity from single-particle-tracking trajectories in experiments. Here, we devise a novel method for detecting the transition times of the diffusivity from trajectory data. A key idea of this method is the introduction of a characteristic time scale of the diffusive states, which is obtained by a fluctuation analysis of the time-averaged mean square displacements. We test our method in silico by using the Langevin equation with a fluctuating diffusivity. We show that our method can successfully detect the transition times of diffusive states and obtain the diffusion coefficient as a function of time. This method will provide a quantitative description of the fluctuating diffusivity in heterogeneous environments and can be applied to time series with transitions of states.

In this paper, we study systematically a serial of correlation functions in some one-dimensional nonlinear lattices. Due to the energy conservation law, they are implicitly interdependent. Various transport coefficients are thus also connected. In the studies of the autocorrelations of local energy density and of local heat current, a general relation between diverging heat conduction and super heat diffusion has been proposed recently. We clarify that such a relation is valid only in systems without temperature pressure. In those with temperature pressure, a constant but nontrivial term appears. This term explains a previously observed fact that heat diffusion in such systems is always ballistic but heat conduction can diverge very slowly. Such a result not only disproves the existence of any general relation between diverging heat conduction and super heat diffusion, but it also breaks the long-term presumption that ballistic heat conduction and diffusion always coexist.

We introduce a model in which a particle performs a continuous-time random walk (CTRW) coupled to an environment with Ising dynamics. The particle shows locally varying diffusivity determined by the geometrical properties of the underlying Ising environment, that is, the diffusivity depends on the size of the connected area of spins pointing in the same direction. The model shows anomalous diffusion when the Ising environment is at critical temperature. We show that any finite scale introduced by a temperature different from the critical one, or a finite size of the environment, cause subdiffusion only during a transient time. The characteristic time, at which the system returns to normal diffusion after the subdiffusive plateau depends on the limiting scale and on how close the temperature is to criticality. The system also displays apparent ergodicity breaking at intermediate time, while ergodicity breaking at longer time occurs only under the idealized infinite environment at the critical temperature.

The Rayleigh-Taylor instability is a gravitational instability in two fluids where the heavier fluid is set over the lighter fluid. The instability occurs both in classical fluids and quantum fluids. We numerically study the Rayleigh-Taylor instability using coupled Gross-Pitaevskii equations for two-component Bose-Einstein condensates. We carry out numerical simulations that the heavier component is set in a torus initially which is surrounded by the lighter component. When the torus falls, the Rayleigh-Taylor instability develops and a sagging pattern appears. This instability is investigated for the two cases with and without a vortex ring inside the torus. We find that a vortex ring suppresses the instability when the radius of the torus is small.