Many approaches of coarse graining have been developed under the names of Cosserat theory or polar-fluid theory for those materials in which some component elements undergo nonaffine deformations, such as elastic materials with inclusions or granular matters. For the complex elements such as living cells, however, the microscopic variables and their dynamics are often unknown, and there has been no systematic theory of coarse graining from the microscales nor the formulas like the Irving-Kirkwood formula that constitutes the macroscopic stress or couple stress in terms of some microscale quantities. We show that, for the quasi-steady states, the coarse-graining procedure must generally provide us with the Cosserat-type balance equations as long as the procedure keeps track of the conservation of linear and angular momenta, and that the fluxes of these conserved quantities should generally be expressed in the Irving-Kirkwood-type formulas, where the interparticle distance or forces and torques should be replaced by those associated to the pair of neighboring coarse-graining volumes. This framework, which refers to no particular microvariables or dynamics, is valid for active complex matters out of equilibrium and with any multibody interactions.

We analyze a large number of high-order discrete velocity models for solving the Boltzmann–Bhatnagar-Gross-Krook equation for finite Knudsen number flows. Using the Chapman-Enskog formalism, we prove for isothermal flows a relation identifying the resolved flow regimes for low Mach numbers. Although high-order lattice Boltzmann models recover flow regimes beyond the Navier-Stokes level, we observe for several models significant deviations from reference results. We found this to be caused by their inability to recover the Maxwell boundary condition exactly. By using supplementary conditions for the gas-surface interaction it is shown how to systematically generate discrete velocity models of any order with the inherent ability to fulfill the diffuse Maxwell boundary condition accurately. Both high-order quadratures and an exact representation of the boundary condition turn out to be crucial for achieving reliable results. For Poiseuille flow, we can reproduce the mass flow and slip velocity up to the Knudsen number of 1. Moreover, for small Knudsen numbers, the Knudsen layer behavior is recovered.

We study the joint action of the non-Poisson renewal events (NPR) yielding Continuous-time random walk (CTRW) with index $\alpha <1$ and two different generators of Hurst coefficient $H\ne 0.5$, one generating fractional Brownian motion (FBM) and another scaled Brownian motion (SBM). We discuss the ergodicity breaking emerging from these joint actions and we find that in both cases the adoption of time averages leads to localization. In the case of the joint action of NPR and SBM, localization occurs when SBM would produce subdiffusion. The joint action of NPR and FBM, on the contrary, may lead to localization when FBM is a source of superdiffusion. The joint action of NPR and FBM is equivalent to extending the CTRW to the case where the jumps of the runner are correlated and we argue that the the memory-induced localization requires a refinement of the theoretical perspective about determinism and randomness.

We study a quantum Otto cycle in which the strokes are performed in finite time. The cycle involves energy measurements at the end of each stroke to allow for the respective determination of work. We then optimize for the work and efficiency of the cycle by varying the time spent in the different strokes and find that the optimal value of the ratio of time spent on each stroke goes through sudden changes as the parameters of this cycle vary continuously. The position of these discontinuities depends on the optimized quantity under consideration such as the net work output or the efficiency.

We present a functional renormalization group approach for the active to inactive phase transition in directed percolation-type systems, in which the transition is approached from the active, finite density phase. By expanding the effective potential for the density field around its minimum, we obtain a background field action functional, which serves as a starting point for the functional renormalization group approach. Due to the presence of the background field, the corresponding nonperturbative flow equations yield remarkably good estimates for the critical exponents of the directed percolation universality class, even in low dimensions.

By establishing a relation between information erasure and continuous phase transitions we generalize the Landauer bound to analog computing systems. The entropy production per degree of freedom during erasure of an analog variable (reset to standard value) is given by the logarithm of the configurational volume measured in units of its minimal quantum. As a consequence, every computation has to be carried on with a finite number of bits and infinite precision is forbidden by the fundamental laws of physics, since it would require an infinite amount of energy.

The experimental properties of intrinsic localized modes (ILMs) have long been compared with theoretical dynamical lattice models that make use of nonlinear onsite and/or nearest-neighbor intersite potentials. Here it is shown for a one-dimensional lumped electrical transmission line that a nonlinear inductive component in an otherwise linear parallel capacitor lattice makes possible a new kind of ILM outside the plane wave spectrum. To simplify the analysis, the nonlinear inductive current equations are transformed to flux transmission line equations with analog onsite hard potential nonlinearities. Approximate analytic results compare favorably with those obtained from a driven damped lattice model and with eigenvalue simulations. For this mono-element lattice, ILMs above the top of the plane wave spectrum are the result. We find that the current ILM is spatially compressed relative to the corresponding flux ILM. Finally, this study makes the connection between the dynamics of mass and force constant defects in the harmonic lattice and ILMs in a strongly anharmonic lattice.

We study the dynamics of local bond orientation in regular hyperbranched polymers modeled by Vicsek fractals. The local dynamics is investigated through the temporal autocorrelation functions of single bonds and the corresponding relaxation forms of the complex dielectric susceptibility. We show that the dynamic behavior of single segments depends on their remoteness from the periphery rather than on the size of the whole macromolecule. Remarkably, the dynamics of the core segments (which are most remote from the periphery) shows a scaling behavior that differs from the dynamics obtained after structural average. We analyze the most relevant processes of single segment motion and provide an analytic approximation for the corresponding relaxation times. Furthermore, we describe an iterative method to calculate the orientational dynamics in the case of very large macromolecular sizes.

We report the effect of applied magnetic field on the morphology of cracks formed after evaporation of a colloidal suspension consisting of shape-anisotropic ellipsoidal particles on a glass substrate. The evaporation experiments are performed in sessile drop configuration, which usually leads to accumulation of particles at the drop boundaries, commonly known as the “coffee-ring effect.” The coffee-ring-like deposits that accompany cracks are formed in the presence as well as in the absence of magnetic field. However, the crack patterns formed in both cases are found to differ markedly. The direction of cracks in the presence of the magnetic field is found to be governed by the orientation of particles and not solely by the magnetic field direction. Our experimental results show that at the vicinity of cracks the particles are ordered and oriented with their long-axis parallel to crack direction. In addition, we observe that the crack spacing in general increases with the height of the particulate film.

Characterizing the complex spectrum of topological defects in ground states of curved crystals is a long-standing problem with wide implications, from the mathematical Thomson problem to diverse physical realizations, including fullerenes and particle-coated droplets. While the excess number of “topologically charged” fivefold disclinations in a closed, spherical crystal is fixed, here we study the elementary transition from defect-free, flat crystals to curved crystals possessing an excess of “charged” disclinations in their bulk. Specifically, we consider the impact of topologically neutral patterns of defects—in the form of multidislocation chains or “scars” stable for small lattice spacing—on the transition from neutral to charged ground-state patterns of a crystalline cap bound to a spherical surface. Based on the asymptotic theory of caps in continuum limit of vanishing lattice spacing, we derive the morphological phase diagram of ground-state defect patterns, spanned by surface coverage of the sphere and forces at the cap edge. For the singular limit of zero edge forces, we find that scars reduce (by half) the threshold surface coverage for excess disclinations. Even more significant, scars flatten the geometric dependence of excess disinclination number on Gaussian curvature, leading to a transition between stable “charged” and “neutral” patterns that is, instead, critically sensitive to the compressive vs tensile nature of boundary forces on the cap.

In order to analyze the energy-level distribution in complex ions such as those found in warm dense plasmas, this paper provides values for high-order moments of the spin-orbit energy in a multielectron configuration. Using second-quantization results and standard angular algebra or fully analytical expressions, explicit values are given for moments up to 10th order for the spin-orbit energy. Two analytical methods are proposed, using the uncoupled or coupled orbital and spin angular momenta. The case of multiple open subshells is considered with the help of cumulants. The proposed expressions for spin-orbit energy moments are compared to numerical computations from Cowan's code and agree with them. The convergence of the Gram-Charlier expansion involving these spin-orbit moments is analyzed. While a spectrum with infinitely thin components cannot be adequately represented by such an expansion, a suitable convolution procedure ensures the convergence of the Gram-Charlier series provided high-order terms are accounted for. A corrected analytical formula for the third-order moment involving both spin-orbit and electron-electron interactions turns out to be in fair agreement with Cowan's numerical computations.

A method is developed that allows analysis of quantum Monte Carlo simulations to identify errors in trial wave functions. The purpose of this method is to allow for the systematic improvement of variational wave functions by identifying degrees of freedom that are not well described by an initial trial state. We provide proof of concept implementations of this method by identifying the need for a Jastrow correlation factor and implementing a selected multideterminant wave function algorithm for small dimers that systematically decreases the variational energy. Selection of the two-particle excitations is done using the quantum Monte Carlo method within the presence of a Jastrow correlation factor and without the need to explicitly construct the determinants. We also show how this technique can be used to design compact wave functions for transition metal systems. This method may provide a route to analyze and systematically improve descriptions of complex quantum systems in a scalable way.

The entanglement and localization in eigenstates of strongly chaotic subsystems are studied as a function of their interaction strength. Excellent measures for this purpose are the von Neumann entropy, Havrda-Charvát-Tsallis entropies, and the averaged inverse participation ratio. All the entropies are shown to follow a remarkably simple exponential form, which describes a universal and rapid transition to nearly maximal entanglement for increasing interaction strength. An unexpectedly exact relationship between the subsystem averaged inverse participation ratio and purity is derived that prescribes the transition in the localization as well.

We numerically exhibit two strange phenomena of finite-size fluctuation in thermal equilibrium of a paradigmatic long-range interacting system having a second-order phase transition. One is a nonclassical finite-size scaling at the critical point, which differs from the prediction by statistical mechanics. With the aid of this strange scaling, the scaling theory for infinite-range models conjectures the nonclassical values of critical exponents for the correlation length. The other is relaxation of the fluctuation strength from one level to another in spite of being in thermal equilibrium. A scenario is proposed to explain these phenomena from the viewpoint of the Casimir invariants and their nonexactness in finite-size systems, where the Casimir invariants are conserved in the Vlasov dynamics describing the long-range interacting systems in the limit of large population. This scenario suggests appearance of the reported phenomena in a wide class of isolated long-range interacting systems.

Brownian motion is the only random process which is Gaussian, scale invariant, and Markovian. Dropping the Markovian property, i.e., allowing for memory, one obtains a class of processes called fractional Brownian motion, indexed by the Hurst exponent $H$. For $H=1/2$, Brownian motion is recovered. We develop a perturbative approach to treat the nonlocality in time in an expansion in $\varepsilon =H-1/2$. This allows us to derive analytic results beyond scaling exponents for various observables related to extreme value statistics: the maximum $m$ of the process and the time $t_{\max }$ at which this maximum is reached, as well as their joint distribution. We test our analytical predictions with extensive numerical simulations for different values of $H$. They show excellent agreement, even for $H$ far from $1/2$.

We consider the random walk on a lattice with random transition rates and arbitrarily long-range jumps. We employ Bruggeman's effective-medium approximation (EMA) to find the disorder-averaged (coarse-grained) dynamics. The EMA procedure replaces the disordered system with a cleverly guessed reference system in a self-consistent manner. We give necessary conditions on the reference system and discuss possible physical mechanisms of anomalous diffusion. In the case of a power-law scaling between transition rates and distance, lattice variants of Lévy-flights emerge as the effective medium, and the problem is solved analytically, bearing the effective anomalous diffusivity. Finally, we discuss several example distributions and demonstrate very good agreement with numerical simulations.

We extend the semiclassical theory of short periodic orbits [M. Novaes et al., Phys. Rev. E 80, 035202(R) (2009)] to partially open quantum maps, which correspond to classical maps where the trajectories are partially bounced back due to a finite reflectivity $R$. These maps are representative of a class that has many experimental applications. The open scar functions are conveniently redefined, providing a suitable tool for the investigation of this kind of system. Our theory is applied to the paradigmatic partially open tribaker map. We find that the set of periodic orbits that belongs to the classical repeller of the open map ($R=0$) is able to support the set of long-lived resonances of the partially open quantum map in a perturbative regime. By including the most relevant trajectories outside of this set, the validity of the approximation is extended to a broad range of $R$ values. Finally, we identify the details of the transition from qualitatively open to qualitatively closed behavior, providing an explanation in terms of short periodic orbits.

Mean-square displacements of hydrogen atoms in glass-forming materials and proteins, as reported by incoherent elastic neutron scattering, show kinks in their temperature dependence. This crossover, known as the dynamical transition, connects two approximately linear regimes. It is often assigned to the dynamical freezing of subsets of molecular modes at the point of equality between their corresponding relaxation times and the instrumental observation window. The origin of the dynamical transition in glass-forming glycerol is studied here by extensive molecular dynamics simulations. We find the dynamical transition to occur for both the center-of-mass translations and the molecular rotations at the same temperature, insensitive to changes of the observation window. Both the translational and rotational dynamics of glycerol show a dynamic crossover from the structural to a secondary relaxation at the temperature of the dynamical transition. A significant and discontinuous increase in the orientational Kirkwood factor and in the dielectric constant is observed in the same range of temperatures. No indication is found of a true thermodynamic transition to an ordered low-temperature phase. We therefore suggest that all observed crossovers are dynamic in character. The increase in the dielectric constant is related to the dynamic freezing of dipolar domains on the time scale of simulations.

We experimentally and numerically study the dependence of different navigation strategies regarding the effectivity of an active particle to reach a predefined target area. As the only control parameter, we vary the particle's propulsion velocity depending on its position and orientation relative to the target site. By introducing different figures of merit, e.g., the time to target or the total consumed propulsion energy, we are able to quantify and compare the efficiency of different strategies. Our results suggest that each strategy to navigate towards a target has its strengths and weaknesses, and none of them outperforms the other in all regards. Accordingly, the choice of an ideal navigation strategy will strongly depend on the specific conditions and the figure of merit which should be optimized.