Rational social distancing policy during epidemics with limited healthcare capacity.

Epidemics of infectious diseases posing a serious risk to human health have occurred throughout history. During recent epidemics there has been much debate about policy, including how and when to impose restrictions on behaviour. Policymakers must balance a complex spectrum of objectives, suggesting a need for quantitative tools. Whether health services might be 'overwhelmed' has emerged as a key consideration. Here we show how costly interventions, such as taxes or subsidies on behaviour, can be used to exactly align individuals' decision making with government preferences even when these are not aligned. In order to achieve this, we develop a nested optimisation algorithm of both the government intervention strategy and the resulting equilibrium behaviour of individuals. We focus on a situation in which the capacity of the healthcare system to treat patients is limited and identify conditions under which the disease dynamics respect the capacity limit. We find an extremely sharp drop in peak infections at a critical maximum infection cost in the government's objective function. This is in marked contrast to the gradual reduction of infections if individuals make decisions without government intervention. We find optimal interventions vary less strongly in time when interventions are costly to the government and that the critical cost of the policy switch depends on how costly interventions are.

Direct numerical simulations of a microswimmer in a viscoelastic fluid.

This study presents the application of the smoothed profile (SP) method to perform direct numerical simulations for the motion of both passive and active "squirming" particles in Newtonian and viscoelastic fluids. We found that fluid elasticity has a significant impact on both the transient behavior and the steady-state velocity of the particles. Specifically, we observe that the swirling flow generated by the squirmer's surface velocity significantly enhances their swimming speed as the Weissenberg number increases, regardless of the swimming type. Furthermore, we find that pushers outperform pullers in Oldroyd-B fluids, suggesting that the speed of a squirmer depends on the swimmer type. To understand the physical origin of the phenomenon of swirling flow enhancing the swimming speed, we investigate the velocity field and polymer conformation around non-swirling and swirling neutral squirmers in viscoelastic fluids. Our investigation reveals that the velocity field around the neutral swirling squirmers exhibits pusher-like extensional flow characteristics, as well as an asymmetric polymer conformation distribution, which gives rise to this increased propulsion. This is confirmed by the investigation of the force on a fixed squirmer, which revealed that the polymer stress, particularly its diagonal components, plays a critical role in enhancing the swimming speed of swirling squirmers in viscoelastic fluids. Additionally, our results demonstrate that the maximum swimming speeds of swirling squirmers occur at an intermediate value of the fluid viscosity ratio for all swimmer types. These findings have important implications for understanding the behavior of particles and micro-organisms in complex fluids.

Smoothed profile method for direct numerical simulations of hydrodynamically interacting particles.

A general method is presented for computing the motions of hydrodynamically interacting particles in various kinds of host fluids for arbitrary Reynolds numbers. The method follows the standard procedure for performing direct numerical simulations (DNS) of particulate systems, where the Navier-Stokes equation must be solved consistently with the motion of the rigid particles, which defines the temporal boundary conditions to be satisfied by the Navier-Stokes equation. The smoothed profile (SP) method provides an efficient numerical scheme for coupling the continuum fluid mechanics with the dispersed moving particles, which are allowed to have arbitrary shapes. In this method, the sharp boundaries between solid particles and the host fluid are replaced with a smeared out thin shell (interfacial) region, which can be accurately resolved on a fixed Cartesian grid utilizing a SP function with a finite thickness. The accuracy of the SP method is illustrated by comparison with known exact results. In the present paper, the high degree of versatility of the SP method is demonstrated by considering several types of active and passive particle suspensions.

Direct observation of the attachment behavior of hydrophobic colloidal particles onto a bubble surface.

The attachment of solid particles to the surface of immersed gas bubbles plays a fundamental role in surface science, and hence plays key roles in various engineering fields ranging from industrial separation processes to the fabrication of functional materials. However, detailed investigation from a microscopic view on how a single particle attaches to a bubble surface and how the particle properties affect the attachment behavior has been so far scarcely addressed. Here, we observed the attachment of a single particle to a bubble surface using a high-speed camera and systematically investigated the effects of the wettability and shape of particles. We found that hydrophobic particles abruptly "jumped into" the bubble while sliding down the bubble surface to eventually satisfy their static contact angles, the behavior of which induced a much stronger attachment to the bubble surface. Interestingly, the determinant factor for the attachment efficiency of spherical particles was not the wettability of the spherical particles but the location of the initial collision with the bubble surface. In contrast, the attachment efficiency of anisotropically-shaped particles was found to increase with the hydrophobicity caused by a larger contact area to the bubble surface. Last but not least, a simple formulation is suggested to recover the contact angle based on the jump-in behavior.

Modeling the mechanosensitivity of fast-crawling cells on cyclically stretched substrates.

The mechanosensitivity of cells, which determines how they are able to respond to mechanical signals, is crucial for the functioning of biological systems. Experimentally, this is investigated by studying the reorientation of cells on cyclically stretched substrates. The reorientation depends on the type of cell and on the stretching protocol, but the mechanisms responsible for the response are still not completely understood. Here, we introduce a computational model for fast crawling cells on cyclically stretched substrates that accounts for the sub-cellular elements responsible for cell shape and motility. This includes the dynamics of the cell membrane, the actin cytoskeleton, and the focal adhesions with the stretching substrate. These processes evolve over characteristic time scales that can vary by orders of magnitude and naturally give rise to the frequency dependent reorientation observed experimentally. Depending on which processes are being probed by the stretching and on the type of coupling with the substrate, our simulations predict either no reorientation, a bi-stability in the parallel and perpendicular directions, or a complete reorientation in either the parallel or perpendicular direction. In particular, we show that an asymmetry in the adhesion dynamics during the loading and unloading phases of the stretching, whether it comes from the response of the cell itself or from the precise stretching protocol, can be used to selectively align the cells. Our results provide further evidence for the importance of focal adhesion dynamics in determining the mechanosensitive response of cells, as well as a way to interpret recent experiments.

Spontaneous spatiotemporal ordering of shape oscillations enhances cell migration.

The migration of cells is relevant for processes such as morphogenesis, wound healing, and invasion of cancer cells. In order to move, single cells deform cyclically. However, it is not understood how these shape oscillations influence collective properties. Here we demonstrate, using numerical simulations, that the interplay of directed motion, shape oscillations, and excluded volume enables cells to locally "synchronize" their motion and thus enhance collective migration. Our model captures elongation and contraction of crawling ameboid cells controlled by an internal clock with a fixed period, mimicking the internal cycle of biological cells. We show that shape oscillations are crucial for local rearrangements that induce ordering of neighboring cells according to their internal clocks even in the absence of signaling and regularization. Our findings reveal a novel, purely physical mechanism through which the internal dynamics of cells influences their collective behavior, which is distinct from well known mechanisms like chemotaxis, cell division, and cell-cell adhesion.

Field-induced dipolar attraction between like-charged colloids.

The field induced anisotropic interactions between like-charged colloidal particles is studied using direct numerical simulations, where the polarization of the electric double layer is explicitly computed under external AC electric fields. These interactions are found to depend on the magnitude E0 and frequency ω of the applied field, as well as the zeta potential, the Debye length, and the relative orientation of the particles. We also determined the range of E0 and ω over which a dipolar attraction is induced between a pair of like-charged colloids. Finally, we performed simulations for systems of six and twelve colloidal particles to study the stability of pear-chain-like configurations.

Metallonanobelt: A Kinetically Stable Shape-Persistent Molecular Belt Prepared by Reversible Self-Assembly Processes.

A triptycene-based shape-persistent belt-shaped macrocycle, metallonanobelt, was synthesized by the self-assembly of 2,3,6,7-tetraaminotriptycene L and square planar Pd2+. The pentamer was selectively formed by the complexation of L with Pd2+ in the presence of the pillar[6]arene derivative P6 having triethylene glycol pendant as a template, whereas a mixture of a trimer, tetramer, and pentamer was obtained in the absence of the template. The pentamer was successfully isolated based on the solubility difference between the metallonanobelt and the template. It was also revealed that the isolated pentamer was remarkably stable in solutions such as acetonitrile or methanol thanks to the relatively inert planar chelate metal complex, [Pd( o-phenylenediamine)2] unit. Thus, we can handle the metallonanobelt almost as a static organic nanobelt that is synthesized covalently.

Do hydrodynamically assisted binary collisions lead to orientational ordering of microswimmers?

We have investigated the onset of collective motion in systems of model microswimmers, by performing a comprehensive analysis of the binary collision dynamics using three-dimensional direct numerical simulations (DNS) with hydrodynamic interactions. From this data, we have constructed a simplified binary collision model (BCM) which accurately reproduces the collective behavior obtained from the DNS for most cases. Thus, we show that global alignment can mostly arise solely from binary collisions. Although the agreement between both models (DNS and BCM) is not perfect, the parameter range in which notable differences appear is also that for which strong density fluctuations are present in the system (where pseudo-sound mound can be observed (N. Oyama et al., Phys. Rev. E 93, 043114 (2016))).

Fungal hemicellulose-degrading enzymes cause physical property changes concomitant with solubilization of cell wall polysaccharides.

MAIN CONCLUSION: Physical properties of wheat coleoptile segments decreased after treatment with hemicellulose-degrading enzymes, indicating that hemicellulosic polysaccharides function to control the strength of primary cell walls. Changes in the physical properties of plant cell walls, a viscoelastic structure, are thought to be one of the growth-limiting factors for plants and one of the infection-affecting factors for fungi. To study the significance of hemicellulosic polysaccharides that form cross-bridges between cellulose microfibrils in controlling cell wall strength in monocot plants, the effects of hemicellulose degradation by recombinant Magnaporthe oryzae xylanase and 1,3-1,4-ß-glucanase, and recombinant Aspergillus oryzae xyloglucanase on the physical properties and polysaccharide solubilization were investigated using wheat (Triticum aestivum L.) coleoptiles. Treatments with xylanase or 1,3-1,4-ß-glucanase significantly decreased the viscosity and elasticity of wheat coleoptile segments. In addition, xyloglucanase treatment slightly decreased the viscoelasticity. Furthermore, 1,3-1,4-ß-glucan polymer was solubilized during hydrolysis with xylanase and xyloglucanase, even though neither enzyme had hydrolytic activity towards 1,3-1,4-ß-glucan. These results suggest that xylan and xyloglucan interact with 1,3-1,4-ß-glucan and that the composites and hemicellulosic polysaccharides form inter-molecular bridges. Degradation of these bridges causes decreases in the physical properties, resulting in increased extensibility of the cell walls. These findings provide a testable model in which wheat coleoptile cell walls are loosened by the degradation of hemicellulosic polysaccharides and hemicellulose-degrading enzymes play a significant role in loosening the walls during fungal infection.

General constitutive model for supercooled liquids: anomalous transverse wave propagation.

A transverse acoustic wave propagates through supercooled liquids in an anomalous manner: for a macroscopic wave number k, the wave propagates long distances, as in elastic solids, whereas it attenuates rapidly for a mesoscopic to microscopic wave number k, as in viscous liquids. In this work, we theoretically describe this anomalous wave propagation using the hydrodynamics of the two-mode Maxwell constitutive model, which were determined independently from the mechanical properties under oscillatory shear strains. To ensure that the Maxwell model can be applied down to a microscopic length scale, we extended it to a k-dependent equation, taking into account the recently reported k dependences of the shear viscosity and modulus [A. Furukawa and H. Tanaka, Phys. Rev. Lett. 103, 135703 (2009); A. Furukawa H. Tanaka Phys. Rev. E 84, 061503 (2011)]. The anomalous wave propagation in supercooled liquids can also be understood in terms of a linear coupling of many independent normal modes, as in amorphous solids.

Velocity relaxation of a particle in a confined compressible fluid.

The velocity relaxation of an impulsively forced spherical particle in a fluid confined by two parallel plane walls is studied using a direct numerical simulation approach. During the relaxation process, the momentum of the particle is transmitted in the ambient fluid by viscous diffusion and sound wave propagation, and the fluid flow accompanied by each mechanism has a different character and affects the particle motion differently. Because of the bounding walls, viscous diffusion is hampered, and the accompanying shear flow is gradually diminished. However, the sound wave is repeatedly reflected and spreads diffusely. As a result, the particle motion is governed by the sound wave and backtracks differently in a bulk fluid. The time when the backtracking of the particle occurs changes non-monotonically with respect to the compressibility factor ε = ν∕ac and is minimized at the characteristic compressibility factor. This factor depends on the wall spacing, and the dependence is different at small and large wall spacing regions based on the different mechanisms causing the backtracking.

Direct numerical simulations of rigid body dispersions. I. Mobility/friction tensors of assemblies of spheres.

An improved formulation of the "Smoothed Profile" method is introduced to perform direct numerical simulations of arbitrary rigid body dispersions in a Newtonian host solvent. Previous implementations of the method were restricted to spherical particles, severely limiting the types of systems that could be studied. The validity of the method is carefully examined by computing the friction/mobility tensors for a wide variety of geometries and comparing them to reference values obtained from accurate solutions to the Stokes-Equation.

Rational social distancing in epidemics with uncertain vaccination timing.

During epidemics people may reduce their social and economic activity to lower their risk of infection. Such social distancing strategies will depend on information about the course of the epidemic but also on when they expect the epidemic to end, for instance due to vaccination. Typically it is difficult to make optimal decisions, because the available information is incomplete and uncertain. Here, we show how optimal decision-making depends on information about vaccination timing in a differential game in which individual decision-making gives rise to Nash equilibria, and the arrival of the vaccine is described by a probability distribution. We predict stronger social distancing the earlier the vaccination is expected and also the more sharply peaked its probability distribution. In particular, equilibrium social distancing only meaningfully deviates from the no-vaccination equilibrium course if the vaccine is expected to arrive before the epidemic would have run its course. We demonstrate how the probability distribution of the vaccination time acts as a generalised form of discounting, with the special case of an exponential vaccination time distribution directly corresponding to regular exponential discounting.

Learning to swim efficiently in a nonuniform flow field.

Microswimmers can acquire information on the surrounding fluid by sensing mechanical queues. They can then navigate in response to these signals. We analyze this navigation by combining deep reinforcement learning with direct numerical simulations to resolve the hydrodynamics. We study how local and nonlocal information can be used to train a swimmer to achieve particular swimming tasks in a nonuniform flow field, in particular, a zigzag shear flow. The swimming tasks are (1) learning how to swim in the vorticity direction, (2) learning how to swim in the shear-gradient direction, and (3) learning how to swim in the shear-flow direction. We find that access to laboratory frame information on the swimmer's instantaneous orientation is all that is required in order to reach the optimal policy for tasks (1) and (2). However, information on both the translational and rotational velocities seems to be required to accomplish task (3). Inspired by biological microorganisms, we also consider the case where the swimmers sense local information, i.e., surface hydrodynamic forces, together with a signal direction. This might correspond to gravity or, for microorganisms with light sensors, a light source. In this case, we show that the swimmer can reach a comparable level of performance to that of a swimmer with access to laboratory frame variables. We also analyze the role of different swimming modes, i.e., pusher, puller, and neutral.

Dynamical heterogeneity in a highly supercooled liquid under a sheared situation.

In the present study, we performed molecular dynamics simulations and investigated dynamical heterogeneity in a supercooled liquid under a steady shear flow. Dynamical heterogeneity can be characterized by three quantities: the correlation length ξ(4)(t), the intensity χ(4)(t), and the lifetime τ(hetero)(t). We quantified all three quantities by means of the correlation functions of the particle dynamics, i.e., the four-point correlation functions, which are extended to the sheared condition. Here, to define the local dynamics, we used two time intervals t = τ(α) and τ(ngp); τ(α) is the α-relaxation time, and τ(ngp) is the time at which the non-Gaussian parameter of the Van Hove self-correlation function is maximized. We discovered that all three quantities (ξ(4)(t), χ(4)(t), and τ(hetero)(t)) decrease as the shear rate γ of the steady shear flow increases. For the time interval t = τ(α), the scalings ξ(4)(τ(α))~γ(-0.08), χ(4)(τ(α))~γ(-0.26), and τ(hetero)(τ(α))~γ(-0.88) were obtained. The steady shear flow suppresses the heterogeneous structure as well as the lifetime of the dynamical heterogeneity. In addition, we demonstrated that all three quantities in the sheared non-equilibrium state can be mapped onto those in the equilibrium state through the α-relaxation time τ(α). This finding means that the same relation between τ(α) and three quantities holds in both the equilibrium state and the sheared non-equilibrium state and therefore proposes that the dynamical heterogeneity can play a similar role in the drastic change of τ(α) due to not only the temperature but also the shear rate.

Mechanochemical subcellular-element model of crawling cells.

Constructing physical models of living cells and tissues is an extremely challenging task because of the high complexities of both intra- and intercellular processes. In addition, the force that a single cell generates vanishes in total due to the law of action and reaction. The typical mechanics of cell crawling involve periodic changes in the cell shape and in the adhesion characteristics of the cell to the substrate. However, the basic physical mechanisms by which a single cell coordinates these processes cooperatively to achieve autonomous migration are not yet well understood. To obtain a clearer grasp of how the intracellular force is converted to directional motion, we develop a basic mechanochemical model of a crawling cell based on subcellular elements with the focus on the dependence of the protrusion and contraction as well as the adhesion and de-adhesion processes on intracellular biochemical signals. By introducing reaction-diffusion equations that reproduce traveling waves of local chemical concentrations, we clarify that the chemical dependence of the cell-substrate adhesion dynamics determines the crawling direction and distance with one chemical wave. Finally, we also perform multipole analysis of the traction force to compare it with the experimental results. Our present work sheds light on how intracellular chemical reactions are converted to a directional cell migration under the force-free condition. Although the detailed mechanisms of actual cells are far more complicated than our simple model, we believe that this mechanochemical model is a good prototype for more realistic models.

Implementation of Lees-Edwards periodic boundary conditions for direct numerical simulations of particle dispersions under shear flow.

A general methodology is presented to perform direct numerical simulations of particle dispersions in a shear flow with Lees-Edwards periodic boundary conditions. The Navier-Stokes equation is solved in oblique coordinates to resolve the incompatibility of the fluid motions with the sheared geometry, and the force coupling between colloidal particles and the host fluid is imposed by using a smoothed profile method. The validity of the method is carefully examined by comparing the present numerical results with experimental viscosity data for particle dispersions in a wide range of volume fractions and shear rates including nonlinear shear-thinning regimes.

Control of cell colony growth by contact inhibition.

Contact inhibition is a cell property that limits the migration and proliferation of cells in crowded environments. Here we investigate the growth dynamics of a cell colony composed of migrating and proliferating cells on a substrate using a minimal model that incorporates the mechanisms of contact inhibition of locomotion and proliferation. We find two distinct regimes. At early times, when contact inhibition is weak, the colony grows exponentially in time, fully characterised by the proliferation rate. At long times, the colony boundary moves at a constant speed, determined only by the migration speed of a single cell and independent of the proliferation rate. Further, the model demonstrates how cell-cell alignment speeds up colony growth. Our model illuminates how simple local mechanical interactions give rise to contact inhibition, and from this, how cell colony growth is self-organised and controlled on a local level.

Dynamics of a chiral swimmer sedimenting on a flat plate.

Three-dimensional simulations with fully resolved hydrodynamics are performed to study the dynamics of a single squirmer with and without gravity to clarify its motion in the vicinity of a flat plate. In the absence of gravity and chirality, the usual dynamics of a squirmer near a wall are recovered. The introduction of chirality modifies the swimming motion of squirmers, adding a component of motion in the third direction. When sedimentation is considered, different dynamics emerge for different gravity strength regimes. In a moderate gravity regime, neutral squirmers and pullers eventually stop moving and reorient in a direction perpendicular to the plate; by contrast, pushers exhibit continuous motion in a tilted direction. In the strong gravity regime, all squirmers sediment and reorient perpendicular to the plate. In this study, chirality is introduced to model realistic microswimmers, and its crucial effects on the nature of squirmer trajectories, which change from straight to circular, are discussed.