We systematically study the effects of liquid viscosity, liquid density, and surface tension on global microbubble coalescence using lattice Boltzmann simulation. The liquid-gas system is characterized by Ohnesorge number $\text{Oh}\equiv {\eta }_h/\sqrt{{\rho }_h\sigma r_F}$ with ${\eta }_h,{\rho }_h,\sigma$, and $r_F$ being viscosity and density of liquid, surface tension, and the radius of the larger parent bubble, respectively. This study focuses on the microbubble coalescence without oscillation in an Oh range between 0.5 and 1.0. The global coalescence time is defined as the time period from initially two parent bubbles touching to finally one child bubble when its half-vertical axis reaches above 99% of the bubble radius. Comprehensive graphics processing unit parallelization, convergence check, and validation are carried out to ensure the physical accuracy and computational efficiency. From 138 simulations of 23 cases, we derive and validate a general power-law temporal scaling $T^{*}=A_0{\gamma }^{-n}$, that correlates the normalized global coalescence time $\left(T^{*}\right)$ with size inequality $\left(\gamma \right)$ of initial parent bubbles. We found that the prefactor $A_0$ is linear to Oh in the full considered Oh range, whereas the power index $n$ is linear to Oh when $\text{Oh}<0.66$ and remains constant when $\text{Oh}>0.66$. The physical insights of the coalescence behavior are explored. Such a general temporal scaling of global microbubble coalescence on size inequality may provide useful guidance for the design, development, and optimization of microfluidic systems for various applications.

Third-order transport coefficient tensor of charged-particle swarms in neutral gases in the presence of spatially uniform electric and magnetic fields is considered using a multiterm solution of Boltzmann's equation and Monte Carlo simulation technique. The structure of the third-order transport coefficient tensor and symmetries along its individual components in varying configurations of electric and magnetic fields are addressed using a group projector technique and through symmetry considerations of the Boltzmann equation. In addition, we focus upon the physical interpretation of the third-order transport coefficient tensor by considering the extended diffusion equation which incorporates the contribution of the third-order transport coefficients to the density profile of charged particles. Numerical calculations are carried out for electron and ion swarms for a range of model gases with the aim of establishing accurate benchmarks for third-order transport coefficients. The effects of ion to neutral-particle mass ratio are also examined. The errors of the two-term approximation for solving the Boltzmann equation and limitations of previous treatments of the high-order charged-particle transport properties are also highlighted.

In this paper we propose a method, which is based on equivariant moving frames, for development of high-order accurate invariant compact finite-difference schemes that preserve Lie symmetries of underlying partial differential equations. In this method, variable transformations that are obtained from the extended symmetry groups of partial differential equations (PDEs) are used to transform independent and dependent variables and derivative terms of compact finite-difference schemes (constructed for these PDEs) such that the resulting schemes are invariant under the chosen symmetry groups. The unknown symmetry parameters that arise from the application of these transformations are determined through selection of convenient moving frames. In some cases, owing to selection of convenient moving frames, numerical representation of invariant (or symmetry-preserving) compact numerical schemes is found to be notably simpler than that of standard, noninvariant compact numerical schemes. Further, the accuracy of these invariant compact schemes can be arbitrarily set to a desired order by considering suitable compact finite-difference algorithms. Application of the proposed method is demonstrated through construction of invariant compact finite-difference schemes for some common linear and nonlinear PDEs (including the linear advection-diffusion equation in one or two dimensions, the inviscid Burgers' equation in one dimension, viscous Burgers' equation in one or two dimensions, spherical Burgers' equation in one dimension, and shallow water equations in two dimensions). Results obtained from our numerical simulations indicate that invariant compact finite-difference schemes not only inherit selected symmetry properties of underlying PDEs, but are also comparably more accurate than the standard, noninvariant base numerical schemes considered here.

We propose a general framework for the estimation of observables with generative neural samplers focusing on modern deep generative neural networks that provide an exact sampling probability. In this framework, we present asymptotically unbiased estimators for generic observables, including those that explicitly depend on the partition function such as free energy or entropy, and derive corresponding variance estimators. We demonstrate their practical applicability by numerical experiments for the two-dimensional Ising model which highlight the superiority over existing methods. Our approach greatly enhances the applicability of generative neural samplers to real-world physical systems.

In this paper, we have proposed a statistical procedure for detecting transitions of the mean-square-displacement exponent value within a single trajectory. With this procedure, we have identified three regimes of proteins dynamics on a cell membrane, namely, subdiffusion, free diffusion, and immobility. The fourth considered dynamics type, namely, superdiffusion was not detected. We show that the analyzed protein trajectories are not stationary and not ergodic. Moreover, classification of the dynamics type performed without prior detection of transitions may lead to the overestimation of the proportion of subdiffusive trajectories.

Using Monte Carlo simulation, we have studied the percolation of discorectangles. Also known as stadiums or two-dimensional spherocylinders, a discorectangle is a rectangle with semicircles at a pair of opposite sides. Scaling analysis was performed to obtain the percolation thresholds in the thermodynamic limits. We found that (i) for the two marginal aspect ratios $\varepsilon =1$ (disc) and $\varepsilon \to \infty$ (stick) the percolation thresholds coincide with known values within the statistical error and (ii) for intermediate values of $\varepsilon$ the percolation threshold lies between the percolation thresholds for ellipses and rectangles and approaches the latter as the aspect ratio increases.

Benchmark data are presented for the zeroth- through third-order many-body perturbation corrections to the electronic Helmholtz energy, internal energy, and entropy in the canonical ensemble in a wide range of temperature. They are determined as numerical $\lambda$-derivatives of the respective quantities computed by thermal full configuration interaction with a perturbation-scaled Hamiltonian, $\widehat{H}={\widehat{H}}_0+\lambda \widehat{V}$. Sum-over-states analytical formulas for up to the third-order corrections to these properties are also derived as analytical $\lambda$-derivatives. These formulas, which are verified by exact numerical agreement with the benchmark data, are given in terms of the Hirschfelder–Certain degenerate perturbation energies and should be valid for both degenerate and nondegenerate reference states at any temperature down to zero. The results in the canonical ensemble are compared with the same in the grand canonical ensemble.

Organoids are prototypes of human organs derived from cultured human stem cells. They provide a reliable and accurate experimental model to study the physical mechanisms underlying the early developmental stages of human organs and, in particular, the early morphogenesis of the cortex. Here we propose a mathematical model to elucidate the role played by two mechanisms which have been experimentally proven to be crucial in shaping human brain organoids: the contraction of the inner core of the organoid and the microstructural remodeling of its outer cortex. Our results show that both mechanisms are crucial for the final shape of the organoid and that perturbing those mechanisms can lead to pathological morphologies which are reminiscent of those associated with lissencephaly (smooth brain).

We introduce a minimal hydrodynamic model of polarization, migration, and deformation of a biological cell confined between two parallel surfaces. In our model, the cell is driven out of equilibrium by an active cytsokeleton force that acts on the membrane. The cell cytoplasm, described as a viscous droplet in the Darcy flow regime, contains a diffusive solute that actively transduces the applied cytoskeleton force. While fairly simple and analytically tractable, this quasi-two-dimensional model predicts a range of compelling dynamic behaviours. A linear stability analysis of the system reveals that solute activity first destabilizes a global polarization-translation mode, prompting cell motility through spontaneous symmetry breaking. At higher activity, the system crosses a series of Hopf bifurcations leading to coupled oscillations of droplet shape and solute concentration profiles. At the nonlinear level, we find traveling-wave solutions associated with unique polarized shapes that resemble experimental observations. Altogether, this model offers an analytical paradigm of active deformable systems in which viscous hydrodynamics are coupled to diffusive force transducers.

We study numerically the phase behavior of self-propelled elliptical particles interacting through the “hard” repulsive Gay-Berne potential at infinite Péclet number. Changing a single parameter, the aspect ratio, allows us to continuously go from discoid active Brownian particles to elongated polar rods. Discoids show phase separation, which changes to a cluster state of polar domains, which then form polar bands as the aspect ratio is increased. From the simulations, we identify and extract the two effective parameters entering the mean-field description: the force imbalance coefficient and the effective coupling to the local polarization. These two coefficients are sufficient to obtain a complete and consistent picture, unifying the paradigms of scalar and polar active matter.

Within the framework of the two-dimensional Ericksen-Leslie model, we explore the effect of geometric confinement on the spontaneous flow of active nematic gels. The nematic particles are assumed to flow on a cylindrical surface, while a degenerate tangential anchoring is enforced. Using the linear approximation of the motion equations, we show that there is a close interplay among extrinsic curvature, flow, director alignment, and activity. We find that the extrinsic curvature promotes the director alignment parallel to the cylindrical axis and is responsible for raising the critical threshold with respect to the flat case. Our analysis reveals a very rich scenario where the key quantities are the activity coefficient, the tumbling parameter, and the anisotropic viscosity ratio. Thus, solutions can exhibit a double periodicity in both the azimuthal and axial variables. As a consequence, the velocity field can make a finite angle with the cylinder axis and the active flow winds on the surface with a helical pattern, while the director oscillates around the cylinder generators. Our results can be validated on thin layers of nematic gels placed between two concentric cylinders and suggest which material properties are most suited for the design of active microfluidic devices.

The three-dimensional dynamics of a single non-Brownian flexible fiber in shear flow is evaluated numerically, in the absence of inertia. A wide range of ratios $A$ of bending to hydrodynamic forces and hundreds of initial configurations are considered. We demonstrate that flexible fibers in shear flow exhibit much more complicated evolution patterns than in the case of extensional flow, where transitions to higher-order modes of characteristic shapes are observed when $A$ exceeds consecutive threshold values. In shear flow, we identify the existence of an attracting steady configuration and different attracting periodic motions that are approached by long-lasting rolling, tumbling, and meandering dynamical modes, respectively. We demonstrate that the final stages of the rolling and tumbling modes are effective Jeffery orbits, with the constant parameter $C$ replaced by an exponential function that either decays or increases in time, respectively, corresponding to a systematic drift of the trajectories. In the limit of $C\to 0$, the fiber aligns with the vorticity direction and in the limit of $C\to \infty$, the fiber periodically tumbles within the shear plane. For moderate values of $A$, a three-dimensional meandering periodic motion exists, which corresponds to intermediate values of $C$. Transient, close to periodic oscillations are also detected in the early stages of the modes.

In this paper, the behavior of a bubble and droplet rising in a system, namely, a dissolved air flotation system, is investigated under different conditions. A lattice Boltzmann model which is based on the Cahn-Hilliard equations for ternary flows is implemented. This model can handle high density and viscosity ratios, remove parasitic currents, and capture partial and total spreading conditions. Two classical problems, such as spreading of a liquid lens and the Rayleigh-Taylor instability are used to determine the accuracy of the model. As a practical application, three-component flow in a tank is studied and the dynamics of bubble and droplet under different conditions is investigated. We then concentrate on the dimensionless average velocity and locations of bubble and droplet at different density ratios, viscosity ratios, and diameter ratios. Also, total spreading and partial spreading conditions are compared. The numerical results are justifiable physically and show the ability of this model to simulate three-component flows.

Coulomb plasmas crystallize in a number of physical systems, such as dusty plasmas, neutron star crusts, and white dwarf cores. The crystal structure of the one-component and binary plasma has received significant attention in the literature, though the less studied multicomponent plasma may be most relevant for many physical systems which contain a large range of particle charges. We report on molecular dynamics simulations of multicomponent plasmas near the melting temperature with mixtures taken to be realistic x-ray burst ash compositions. We quantify the structure of the crystal with the bond order parameters and radial distribution function. Consistent with past work, low charge particles form interstitial defects and we argue that they are in a quasiliquid state within the lattice. The lattice shows screening effects which preserves long-range order despite the large variance in particle charges, which may impact transport properties relevant to astrophysics.

The work presented in this paper shows with the help of two-dimensional hydrodynamic simulations that intense heavy-ion beams are a very efficient tool to induce high energy density (HED) states in solid matter. These simulations have been carried out using a computer code BIG2 that is based on a Godunov-type numerical algorithm. This code includes ion beam energy deposition using the cold stopping model, which is a valid approximation for the temperature range accessed in these simulations. Different phases of matter achieved due to the beam heating are treated using a semiempirical equation-of-state (EOS) model. To take care of the solid material properties, the Prandl-Reuss model is used. The high specific power deposited by the projectile particles in the target leads to phase transitions on a timescale of the order of tens of nanosecond, which means that the sample material achieves thermodynamic equilibrium during the heating process. In these calculations we use Pb as the sample material that is irradiated by an intense uranium beam. The beam parameters including particle energy, focal spot size, bunch length, and bunch intensity are considered to be the same as the design parameters of the ion beam to be generated by the SIS100 heavy-ion synchrotron at the Facility for Antiprotons and Ion Research (FAIR), at Darmstadt. The purpose of this work is to propose experiments to measure the EOS properties of HED matter including studies of the processes of phase transitions at the FAIR facility. Our simulations have shown that depending on the specific energy deposition, solid lead will undergo phase transitions leading to an expanded hot liquid state, two-phase liquid-gas state, or the critical parameter regime. In a similar manner, other materials can be studied in such experiments, which will be a very useful addition to the knowledge in this important field of research.

Owing to the ubiquity of synchronization in the classical world, it is interesting to study its behavior in quantum systems. Though quantum synchronization has been investigated in many systems, a clear connection to quantum technology applications is lacking. We bridge this gap and show that nanoscale heat engines are a natural platform to study quantum synchronization and always possess a stable limit cycle. Furthermore, we demonstrate an intimate relationship between the power of a coherently driven heat engine and its phase-locking properties by proving that synchronization places an upper bound on the achievable steady-state power of the engine. We also demonstrate that such an engine exhibits finite steady-state power if and only if its synchronization measure is nonzero. Finally, we show that the efficiency of the engine sets a point in terms of the bath temperatures where synchronization vanishes. We link the physical phenomenon of synchronization with the emerging field of quantum thermodynamics by establishing quantum synchronization as a mechanism of stable phase coherence.

We consider a system of independent pointlike particles performing a Brownian motion while interacting with a Gaussian fluctuating background. These particles are in addition endowed with a discrete two-state internal degree of freedom that is subjected to a nonequilibrium source of noise, which affects their coupling with the background field. We explore the phase diagram of the system and pinpoint the role of the nonequilibrium drive in producing a nontrivial patterned spatial organization. We are able, by means of a weakly nonlinear analysis, to account for the parameter-dependence of the boundaries of the phase and pattern diagram in the stationary state.

Self-assembly and force generation are two central processes in biological systems that usually are considered in separation. However, the signals that activate nonmuscle myosin II molecular motors simultaneously lead to self-assembly into myosin II minifilaments as well as progression of the motor heads through the cross-bridge cycle. Here we investigate theoretically the possible effects of coupling these two processes. Our assembly model, which builds on a consensus architecture of the minifilament, predicts a critical aggregation concentration at which the assembly kinetics slows down dramatically. The combined model predicts that increasing actin filament concentration and force both lead to a decrease in the critical aggregation concentration. We suggest that due to these effects, myosin II minifilaments in a filamentous context might be in a critical state that reacts faster to varying conditions than in solution. We finally compare our model to experiments by simulating fluorescence recovery after photobleaching.

We study how the presence of obstacles in a confined system of monodisperse disks affects their discharge through an aperture. The disks are driven by a horizontal conveyor belt that moves at constant velocity. The mean packing fraction at the outlet decreases as the distance between the obstacles and the aperture decreases. The obstacles organize the dynamics of the stagnant zones in two characteristic behaviors that differ mainly in the magnitude of the fluctuations of the fraction of stagnant disks in the system. It is shown that the effective aperture is reduced by the presence of obstacles.

A Lorenz-like model was set up recently to study the hydrodynamic instabilities in a driven active matter system. This Lorenz model differs from the standard one in that all three equations contain nonlinear terms. The additional nonlinear term comes from the active matter contribution to the stress tensor. In this work, we investigate the nonlinear properties of this Lorenz model both analytically and numerically. The significant feature of the model is the passage to chaos through a complete set of period-doubling bifurcations above the Hopf point for Schmidt numbers above a critical value. Interestingly enough, at these Schmidt numbers a strange attractor and stable fixed points coexist beyond the homoclinic point. At the Hopf point, the strange attractor disappears leaving a high-period periodic orbit. This periodic state becomes the expected limit cycle through a set of bifurcations and then undergoes a sequence of period-doubling bifurcations leading to the formation of a strange attractor. This is the first situation where a Lorenz-like model has shown a set of consecutive period-doubling bifurcations in a physically relevant transition to turbulence.