We theoretically study the active motion of self-diffusiophoretic Janus particles (JPs) using the Onsager-Casimir reciprocal relations. The linear and angular velocity of a single JP are shown to respectively result from a coupling of electrochemical forces to the fluid flow fields induced by a force and torque on the JP. A model calculation is provided for half-capped JPs catalyzing a chemical reaction of solutes at their surface by reducing the continuity equations of the reacting solutes to Poisson equations for the corresponding electrochemical fields. We find that an anisotropic surface reactivity alone is enough to give rise to active linear motion of a JP, whereas active rotation only occurs if the JP is not axisymmetric. In the absence of specific interactions with the solutes, the active linear velocity of the JP is shown to be related to the stoichiometrically weighted sum of the friction coefficients (or hydrodynamic radii) of the reacting solutes. Our reciprocal treatment further suggests that a specific interaction with the solutes is required to observe far-field diffusiophoretic interactions between JPs, which rely on an interfacial solute excess at the JP surface. Most notably, our approach applies beyond the boundary-layer approximation and accounts for both the diffusio- and electrophoretic nature of active motion.

Active matter is rapidly becoming a key paradigm of out-of-equilibrium soft matter exhibiting complex collective phenomena, yet the thermodynamics of such systems remain poorly understood. In this article we study the dynamical irreversibility of large-scale active systems capable of motility-induced phase separation and polar alignment. We use a model with momenta in both translational and rotational degrees of freedom, revealing a hidden component not previously reported in the literature. Steady-state irreversibility is quantified at each point in the phase diagram which exhibits sharp discontinuities at phase transitions. Identification of the irreversibility in individual particles lays the groundwork for discussion of the thermodynamics of microfeatures, such as defects in the emergent structure. The interpretation of the time reversal symmetry in the dynamics of the particles is found to be crucial.

We present the experimental studies of highly strained soft bidisperse granular systems made of hyperelastic and plastic particles. We explore the behavior of granular matter deep in the jammed state from local field measurement from the grain scale to the global scale. By means of a dedicated digital image correlation code and an accurate image recording method, we measure for each compression step the evolution of the particle geometries and their right Cauchy-Green strain tensor fields. We analyze the evolution of the usual macroscopic observables (stress, packing fraction, coordination, fraction of nonrattlers, etc.) along the compression process through the jamming point and far beyond. Analyzing the evolution of the local strain statistics, we evidence a crossover in the material behavior deep in the jammed state for both sorts of particles. We show that this crossover is due to a competition between material compression, dilation, and shear, so its position depends on the particle material. We argue that the strain field is a reliable observable to describe the evolution of a granular system through the jamming transition and deep in the dense packing state whatever the material behavior.

We study the finite-time effects in a quantum Otto cycle where a collective spin system is used as the working fluid. Starting from a simple one-qubit system we analyze the transition to the limit cycle in the case of a finite-time thermalization. If the system consists of a large sample of independent qubits interacting coherently with the heat bath, then the super-radiant equilibration is observed. We show that this phenomenon can boost the power of the engine. Mutual interaction of qubits in the working fluid is modeled by the Lipkin-Meshkov-Glick Hamiltonian. We demonstrate that in this case the quantum phase transitions for the ground and excited states may have a strong negative effect on the performance of the machine. Conversely, by analyzing the work output we can distinguish between the operational regimes with and without a phase transition.

The spin-1/2 Ising-Heisenberg branched chain composed of regularly alternating Ising spins and Heisenberg dimers involving an additional side branching is rigorously solved in a magnetic field by the transfer-matrix approach. The ground-state phase diagram, the magnetization process and the concurrence measuring a degree of bipartite entanglement within the Heisenberg dimers are examined in detail. Three different ground states were found depending on a mutual interplay between the magnetic field and two different coupling constants: the modulated quantum antiferromagnetic phase, the quantum ferrimagnetic phase, and the classical ferromagnetic phase. Two former quantum ground states are manifested in zero-temperature magnetization curves as intermediate plateaus at zero and one-half of the saturation magnetization, whereas the one-half plateau disappears at a triple point induced by a strong-enough ferromagnetic Ising coupling. The ground-state phase diagram and zero-temperature magnetization curves of the analogous spin-1/2 Heisenberg branched chain were investigated using density-matrix renormalization group calculations. The latter fully quantum Heisenberg model involves, besides two gapful phases manifested as zero and one-half magnetization plateaus, gapless quantum spin-liquid phase. The intermediate one-half plateau of the spin-1/2 Heisenberg branched chain vanishes at Kosterlitz-Thouless quantum critical point between gapful and gapless quantum ground states unlike the triple point of the spin-1/2 Ising-Heisenberg branched chain.

We study the one-dimensional motion of a Brownian particle inside a confinement described by two reactive boundaries which can partially reflect or absorb the particle. Understanding the effects of such boundaries is important in physics, chemistry, and biology. We compute the probability density of the particle displacement exactly, from which we derive expressions for the survival probability and the mean absorption time as a function of the reactive coefficients. Furthermore, using the Feynman-Kac formalism, we investigate the local time profile, which is the fluctuating time spent by the particle at a given location, both till a fixed observation time and till the absorption time. Our analytical results are compared to numerical simulations, showing perfect agreement.

Poisson-Boltzmann theory is the cornerstone for soft matter electrostatics. We provide exact analytical solutions to this nonlinear mean-field approach for the diffuse layer of ions in the vicinity of a planar or a cylindrical macroion. While previously known solutions are for homogeneously charged objects, the cases worked out exhibit a modulated surface charge—or equivalently, surface potential—on the macroion (wall) surface. In addition to asymptotic features at large distances from the wall, attention is paid to the fate of the contact theorem, relating the contact density of ions to the local wall charge density. For salt-free systems (counterions only), we make use of results pertaining to the two-dimensional Liouville equation, supplemented by an inverse approach. When salt is present, we invoke the exact two-soliton solution to the 2D sinh-Gordon equation. This leads to inhomogeneous charge patterns, that are either localized or periodic in space. Without salt, the electrostatic signature of a charge pattern on the macroion fades exponentially with distance for a planar macroion, while it decays as an inverse power law for a cylindrical macroion. With salt, our study is limited to the planar geometry and reveals that pattern screening is exponential.

The capture of liquid microdroplets on fibers, webs, and surfaces is important in a range of natural and industrial processes. One such application is the fibrous filtration of aerosols. Contact angle and wetting dynamics have a significant influence on capture and re-entrainment, yet there is no comprehensive model that accounts for these properties and their influence on capture efficiency. In this study, a series of computational simulations using liquid droplets and air are carried out to investigate the influence of equilibrium and dynamic contact angles on the capture and re-entrainment of mist droplets. A range of operating conditions for droplet-fiber diameter ratios, flow velocities, and contact angles, encapsulating both super-oleophilic and super-oleophobic media, are considered. All simulations are carried out using the volume of fluid (VOF) interface capturing approach in the finite volume solver interFoam within OpenFOAM. The physics of microdroplet impacting on a fiber is discussed and three distinct regimes for the spreading of the droplet around the fiber—inertia, capillary, and stagnation pressure controlled—are identified. It was found that the classification of filtration media for any fluid system, rather broadly as philic or phobic, based on the equilibrium contact angle alone may be insufficient for two reasons: (i) the characteristics of droplet-fiber interaction, including capture or re-entrainment, differs significantly over the range of contact angles for both philic and phobic media; and more importantly (ii) equilibrium contact angle plays little role in the initial stages of the droplet-fiber interaction that predominantly dictates the fate of the droplet. On the contrary, it is the contact angle dynamics that influences the initial stages of droplet impact on fibers, while commercial filters are seldom characterized based on this property. The isolated influence of equilibrium, advancing and receding contact angles on the potential mechanisms that can result in full or partial capture or re-entrainment are highlighted. The influence of equilibrium and advancing and receding hystereses are summarized in the form of a capture-regime map that shows four distinct regimes: (i) likely capture, (ii) likely re-entrainment with minimal or no capture, (iii) receding contact angle assisted partial or full capture, and (iv) advancing contact angle inhibited partial or full re-entrainment.

Human voiced sound production or phonation is the result of a fluid-structure instability in the larynx leading to vocal folds auto-oscillation. In this paper, the effect of surface hydration following water spraying (0 up to 5 ml) on an ongoing auto-oscillation is studied experimentally using different mechanical deformable vocal folds replicas. The complexity of the oscillation is quantified on the upstream pressure by a phase space recurrence and complexity analysis. It is shown that: (1) the ratio of the degree of determinism to the recurrence rate of the phase space states $\gamma$ and (2) estimated correlation dimension $D_2$ are suitable parameters to grasp the effect of hydration on the oscillation pattern. The oscillation regime after hydration can either remain deterministic or approach a chaotic regime depending on initial conditions prior to water spraying, such as elasticity, glottal aperture, as well as oscillation complexity.

The transient convective boundary layer flow induced by heating an initially isothermal and stationary fluid with a linearly heated semi-infinite vertical plate is comprehensively investigated by a scaling analysis in the present study. The local temperature at the leading edge of the specified linear thermal profile can be any value that is no lower than the ambient fluid, which significantly differentiates the present study from previous similar investigations. Additionally, the convective flow associated with both $\mathrm{Pr}<1$ and $\mathrm{Pr}>1$ (where Pr is the Prandtl number) fluids is analyzed and quantified. The derived scaling relations demonstrate that the dynamics of the $\mathrm{Pr}<1$ and $\mathrm{Pr}>1$ fluids are fundamentally different and the two flows are described by different sets of scaling laws. The study also shows that the convective boundary layer flow first experiences an initial growth state, and it eventually transits to a fully steady state after the leading edge effect has been completely convected away. It is further revealed that unlike the extensively studied homogenously heating problem which is featured by a one-dimensional initial growth state and a two-dimensional fully developed state, the present flow is consistently two-dimensional if a nonzero background temperature stratification presents. The derived scaling relations are validated against the direct numerical simulation results, and a good agreement is obtained.

The multiphase lattice Boltzmann (LB) models based on pairwise interactions show great potential for simulating multiphase flows due to the conceptual and computational simplicity. Although the dynamics of multiphase flows are reproduced by the pairwise interaction force, the gradient of density (or effective density, i.e., pseudopotential) is implicitly involved in these models via the specialized forcing scheme or the consistent scheme for ${\varepsilon }^3\text{-order}$ term. This work focuses on the calculation of density gradient in this class of multiphase LB models. Theoretical analyses are first carried out to reveal the involvement and calculation of density gradient. On the basis of a low Mach number approximation, an improved scheme is then proposed to calculate the density gradient for the recent LB model with self-tuning equation of state. Analytical and numerical calculations show that the improved scheme is more accurate and can help to reduce the numerical error when the reduced temperature is relatively low.

An axisymmetric compact finite-difference lattice Boltzmann method is proposed to simulate both Newtonian and non-Newtonian flow of blood through a lumen. The curvature of the arteries could be accurately resolved using body-fitted mesh owing to the proposed finite-difference formulation. The axisymmetric nature of the flow, as well as the non-Newtonian nature of blood, are incorporated into the lattice Boltzmann equation using separate source terms. Using Chapman-Enskog expansion it is shown that the resulting lattice Boltzmann equation with these additional source terms recovers the macroscopic axisymmetric hydrodynamic equations. The solver is verified for (1) steady inflow of a Newtonian fluid through a stenosed lumen, (2) temporally developing pulsatile flow (Womersley flow) through a straight lumen with Newtonian fluid, and (3) steady inflow of a non-Newtonian fluid through a straight lumen. The solver is then applied to simulate the steady flow of a non-Newtonian fluid through a stenosed lumen, and it was found that a smaller recirculation zone and lower WSS values are obtained when compared with the flow of a Newtonian fluid. The capability of the solver to simulate spatially developing (velocity-driven) pulsatile flow is then demonstrated by simulating physiological pulsatile flow through an axisymmetric abdominal aortic aneurysm. From this simulation, the cycle-averaged wall shear stress is observed to have a steep gradient going from a minimum (negative) to a maximum (positive) value towards the distal end of the aneurysm, which is prone to the risk of rupture. An iterative procedure to select the geometric and flow parameters for unsteady inflow condition in the lattice Boltzmann method framework is demonstrated that accurately resolves all the timescales to achieve incompressibility. Overall, the present solver seems to be promising to simulate axisymmetric flow of blood with steady and pulsatile inflows while considering the blood rheology.

Unidirectional flow of solitons is obtained with a localized modulation of the nonlinearity strength. The modulation takes the shape of an asymmetric double well with a slight difference between the potential depths. The results were established using numerical computations and then verified qualitatively using a variational approach. Our results suggest that the most important physics at the origin of the unidirectional flow is the excitation of the breathing modes in the scattering region. Simplified variational equations of motion suggested that the phenomenon can be observed if the soliton is scattered by a generic asymmetric effective double potential well.

Lipid rafts are heterogeneous dynamic lipid domains of the cell membranes that are involved in several biological processes, such as protein and lipid specific transport and signaling. Our understanding of lipid raft formation is still limited due to the transient and elusive nature of these domains in vivo, in contrast with the stable phase-separated domains observed in artificial membranes. Inspired by experimental findings highlighting the relevance of transmembrane proteins for lipid rafts, we investigate lipid domain nucleation by coarse-grained molecular dynamics and Ising-model simulations. We find that the presence of a transmembrane protein can trigger lipid domain nucleation in a flat membrane from an otherwise mixed lipid phase. Furthermore, we study the role of the lipid domain in the diffusion of the protein showing that its mobility is hindered by the presence of the raft. The results of our coarse-grained molecular-dynamics and Ising-model simulations thus coherently support the important role played by transmembrane proteins in lipid domain formation and stability.

Athermal elastic moduli of soft-sphere packings are known to exhibit universal scaling properties near the unjamming point, most notably the vanishing of the shear-to-bulk moduli ratio $G/B$ upon decompression. Interestingly, the smallness of $G/B$ stems from the large nonaffinity of deformation-induced displacements under shear strains, compared to insignificant nonaffinity of displacements under compressive strains. In this work, we show using numerical simulations that the relative weights of the affine and nonaffine contributions to the bulk modulus, and their dependence on the proximity to the unjamming point, can differ qualitatively between different models that feature the same generic unjamming phenomenology. In canonical models of unjamming, we observe that the ratio of the nonaffine to total bulk moduli $B_{na}/B$ approaches a constant upon decompression, while in other, less well-studied models, it vanishes. We show that the vanishing of $B_{na}/B$ in noncanonical models stems from the emergence of an invariance of net (zero) forces on the constituent particles to compressive strains at the onset of unjamming. We provide a theoretical scaling analysis that fully explains our numerical observations, and allows us to predict the scaling behavior of $B_{na}/B$ upon unjamming, given the functional form of the pairwise interaction potential.

We computationally study the behavior of underdamped active Brownian particles in a sheared channel geometry. Due to their underdamped dynamics, the particles carry momentum a characteristic distance away from the boundary before it is dissipated into the substrate. We correlate this distance with the persistence of particle trajectories, determined jointly by their friction and self-propulsion. Within this characteristic length, we observe counterintuitive phenomena stemming from the interplay of activity, interparticle interactions, and the boundary driving. Depending on the values of friction and self-propulsion, interparticle interactions can either aid or hinder momentum transport. More dramatically, in certain cases we observe a flow reversal near the wall, which we correlate with an induced polarization of the particle self-propulsion directions. We rationalize these results in terms of a simple kinetic picture of particle trajectories.

We develop a quantitative relationship between magnetic diffusion and the level of randomness, or stochasticity, of the diffusing magnetic field in a magnetized medium. A general mathematical formulation of magnetic stochasticity in turbulence has been developed in previous work in terms of the ${\mathcal{L}}_p$ norm $S_p\left(t\right)=\frac{1}{2}{\parallel 1-{\widehat{\mathbf{B}}}_l·{\widehat{\mathbf{B}}}_L\parallel }_p, p\mathrm{th}$-order magnetic stochasticity of the stochastic field $\mathbf{B}(\mathbf{x},t)$, based on the coarse-grained fields ${\mathbf{B}}_l$ and ${\mathbf{B}}_L$ at different scales $l\ne L$. For laminar flows, the stochasticity level becomes the level of field self-entanglement or spatial complexity. In this paper, we establish a connection between magnetic stochasticity $S_p\left(t\right)$ and magnetic diffusion in magnetohydrodynamic (MHD) turbulence and use a homogeneous, incompressible MHD simulation to test this prediction. Our results agree with the well-known fact that magnetic diffusion in turbulent media follows the superlinear Richardson dispersion scheme. This is intimately related to stochastic magnetic reconnection in which superlinear Richardson diffusion broadens the matter outflow width and accelerates the reconnection process.

Discrete unified gas-kinetic scheme (DUGKS) is a multiscale numerical method for flows from continuum limit to free molecular limit, and is especially suitable for the simulation of multiscale flows, benefiting from its multiscale property. To reduce integration error of the DUGKS and ensure the conservation property of the collision term in isothermal flow simulations, a conserved-DUGKS (C-DUGKS) is proposed. On the other hand, both DUGKS and C-DUGKS adopt Cartesian-type discrete velocity space, in which Gaussian and Newton-Cotes numerical quadrature are used for calculating the macroscopic physical variables in low-speed and high-speed flows, respectively. However, the Cartesian-type discrete velocity space leads to huge computational cost and memory demand. In this paper, the isothermal C-DUGKS is extended to the nonisothermal case by adopting coupled mass and inertial energy distribution functions. Moreover, since the unstructured mesh, such as the triangular mesh in the two-dimensional case, is more flexible than the structured Cartesian mesh, it is introduced to the discrete velocity space of C-DUGKS, such that more discrete velocity points can be arranged in the velocity regions that enclose a large number of molecules, and only a few discrete velocity points need to be arranged in the velocity regions with a small amount of molecules in it. By using the unstructured discrete velocity space, the computational efficiency of C-DUGKS is significantly increased. A series of numerical tests in a wide range of Knudsen numbers, such as the Couette flow, lid-driven cavity flow, two-dimensional rarefied Riemann problem, and the supersonic cylinder flows, are carried out to examine the validity and efficiency of the present method.

We construct and exactly solve a model of an extended Brownian ratchet. The model comprises an arbitrary number of heterogeneous, growing and shrinking filaments which together move a rigid membrane by a ratchet mechanism. The model draws parallels with the dynamics of actin filament networks at the leading edge of the cell. In the model, the filaments grow and contract stochastically. The model also includes forces which derive from a potential dependent on the separation between the filaments and the membrane. These forces serve to attract the filaments to the membrane or generate a surface tension that prevents the filaments from dispersing. We derive an $N$-dimensional diffusion equation for the $N$ filament-membrane separations, which allows the steady-state probability distribution function to be calculated exactly under certain conditions. These conditions are fulfilled by the physically relevant cases of linear and quadratic interaction potentials. The exact solution of the diffusion equation furnishes expressions for the average velocity of the membrane and critical system parameters for which the system stalls and has zero net velocity. In the case of a restoring force, the membrane velocity grows as the square root of the force constant, whereas it decreases once a surface tension is introduced.

The relaxation to equilibrium of lattice systems with long-range interactions is investigated. The timescales involved depend polynomially on the system size, potentially leading to diverging equilibration times. A kinetic equation for long-range lattices is proposed, which explain these timescales as well as a threshold in the interaction range reported in [Phys. Rev. Lett. 110, 170603 (2013)]. Non-Markovian effects are shown to play an important role in the relaxation of systems of up to thousands of particles.