Drag and lift coefficients of ellipsoidal particles under rarefied flow conditions

The capability to simulate a two-way coupled interaction between a rarefied gas and an arbitrary-shaped colloidal particle is important for many practical applications, such as aerospace engineering, lung drug delivery, and semiconductor manufacturing. By means of numerical simulations based on the direct-simulation Monte Carlo (DSMC) method, we investigate the influence of the orientation of the particle and rarefaction on the drag and lift coefficients, in the case of prolate and oblate ellipsoidal particles immersed in a uniform ambient flow.

DruSiLa: an integrated, in-silico disease similarity-based approach for drug repurposing

The importance of faster drug development has never been more evident than in present time when the whole world is struggling to cope up with the COVID-19 pandemic. At times when timely development of effective drugs and treatment plans could potentially save millions of lives, drug repurposing is one area of medicine that has garnered much of research interest. Apart from experimental drug repurposing studies that happen within wet labs, lot many new quantitative methods have been proposed in the literature.

Scalar ? <sup>4</sup> field theory for active-particle phase separation

Recent theories predict phase separation among orientationally disordered active particles whose propulsion speed decreases rapidly enough with density. Coarse-grained models of this process show time-reversal symmetry (detailed balance) to be restored for uniform states, but broken by gradient terms; hence, detailed-balance violation is strongly coupled to interfacial phenomena. To explore the subtle generic physics resulting from such coupling, we here introduce 'Active Model B'.

Spontaneous motility of passive emulsion droplets in polar active gels

We study by computer simulations the dynamics of a droplet of passive, isotropic fluid, embedded in a polar active gel. The latter represents a fluid of active force dipoles, which exert either contractile or extensile stresses on their surroundings, modelling for instance a suspension of cytoskeletal filaments and molecular motors. When the polarisation of the active gel is anchored normal to the droplet at its surface, the nematic elasticity of the active gel drives the formation of a hedgehog defect; this defect then drives an active flow which propels the droplet forward.

A minimal physical model captures the shapes of crawling cells

Cell motility in higher organisms (eukaryotes) is crucial to biological functions ranging from wound healing to immune response, and also implicated in diseases such as cancer. For cells crawling on hard surfaces, significant insights into motility have been gained from experiments replicating such motion in vitro. Such experiments show that crawling uses a combination of actin treadmilling (polymerization), which pushes the front of a cell forward, and myosin-induced stress (contractility), which retracts the rear.

Active Model H: Scalar Active Matter in a Momentum-Conserving Fluid

We present a continuum theory of self-propelled particles, without alignment interactions, in a momentum-conserving solvent. To address phase separation, we introduce a dimensionless scalar concentration field ? with advective-diffusive dynamics. Activity creates a contribution ? to the deviatoric stress, where is odd under time reversal and d is the number of spatial dimensions; this causes an effective interfacial tension contribution that is negative for contractile swimmers.

Build up of yield stress fluids via chaotic emulsification

Stabilised dense emulsions display a rich phenomenology connecting microstructure and rheology. In this work, we study how an emulsion with a finite yield stress can be built via large-scale stirring. By gradually increasing the volume fraction of the dispersed minority phase, under the constant action of a stirring force, we are able to achieve a volume fraction close to 80%. Despite the fact that our system is highly concentrated and not yet turbulent we observe a droplet size distribution consistent with the -10/3 scaling, often associated with inertial range droplets breakup.

Spatial population genetics with fluid flow

The growth and evolution of microbial populations is often subjected to advection by fluid flows in spatially extended environments, with immediate consequences for questions of spatial population genetics in marine ecology, planktonic diversity and origin of life scenarios. Here, we review recent progress made in understanding this rich problem in the simplified setting of two competing genetic microbial strains subjected to fluid flows.

Numerical proof of shell model turbulence closure

The development of turbulence closure models, parametrizing the influence of small nonresolved scales on the dynamics of large resolved ones, is an outstanding theoretical challenge with vast applicative relevance. We present a closure, based on deep recur- rent neural networks, that quantitatively reproduces, within statistical errors, Eulerian and Lagrangian structure functions and the intermittent statistics of the energy cascade, including those of subgrid fluxes. To achieve high-order statistical accuracy, and thus a stringent statistical test, we employ shell models of turbulence.

Switching hydrodynamics in liquid crystal devices: A simulation perspective

In liquid crystal devices it is important to understand the physics underlying their switching between different states, which is usually achieved by applying or removing an electric field. Flow is known to be a key determinant of the timescales and pathways of the switching kinetics. Incorporating hydrodynamic effects into theories for liquid crystal devices is therefore important; however this is also highly non-trivial, and typically requires the use of accurate numerical methods.