Nanoparticle adhesion at liquid interfaces.

Nanoparticle adhesion at liquid interfaces plays an important role in drug delivery, dust removal, the adsorption of aerosols, and controlled self-assembly. However, quantitative measurements of capillary interactions at the nanoscale are challenging, with most existing results at the micrometre to millimetre scale. Here, we combine atomic force microscopy (AFM) and computational simulations to investigate the adhesion and removal of nanoparticles from liquid interfaces as a function of the particles' geometry and wettability.

Droplet Self-Propulsion on Slippery Liquid-Infused Surfaces with Dual-Lubricant Wedge-Shaped Wettability Patterns.

Young's equation is fundamental to the concept of the wettability of a solid surface. It defines the contact angle for a droplet on a solid surface through a local equilibrium at the three-phase contact line. Recently, the concept of a liquid Young's law contact angle has been developed to describe the wettability of slippery liquid-infused porous surfaces (SLIPS) by droplets of an immiscible liquid.

Phase field simulation of liquid filling on grooved surfaces for complete, partial, and pseudo-partial wetting cases.

We develop and harness a phase field simulation method to study liquid filling on grooved surfaces. We consider both short-range and long-range liquid-solid interactions, with the latter including purely attractive and repulsive interactions as well as those with short-range attraction and long-range repulsion. This allows us to capture complete, partial, and pseudo-partial wetting states, demonstrating complex disjoining pressure profiles over the full range of possible contact angles as previously proposed in the literature.

A bending rigidity parameter for stress granule condensates.

Interfacial tension plays an important role in governing the dynamics of droplet coalescence and determining how condensates interact with and deform lipid membranes and biological filaments. We demonstrate that an interfacial tension-only model is inadequate for describing stress granules in live cells. Harnessing a high-throughput flicker spectroscopy pipeline to analyze the shape fluctuations of tens of thousands of stress granules, we find that the measured fluctuation spectra require an additional contribution, which we attribute to elastic bending deformation.

A robust and memory-efficient transition state search method for complex energy landscapes.

Locating transition states is crucial for investigating transition mechanisms in wide-ranging phenomena, from atomistic to macroscale systems. Existing methods, however, can struggle in problems with a large number of degrees of freedom, on-the-fly adaptive remeshing and coarse-graining, and energy landscapes that are locally flat or discontinuous. To resolve these challenges, we introduce a new double-ended method, the Binary-Image Transition State Search (BITSS).

A minimal model of elastic instabilities in biological filament bundles.

We present a model of a system of elastic fibres which exhibits complex, coupled, nonlinear deformations via a connecting elastic spring network. This model can capture physically observed deformations such as global buckling, pinching and internal collapse. We explore the transitions between these deformation modes numerically, using an energy minimization approach, highlighting how supported environments, or stiff outer sheath structures, favour internal structural collapse over global deformation.

Spontaneous phase separation of ternary fluid mixtures.

We computationally study the spontaneous phase separation of ternary fluid mixtures using the lattice Boltzmann method both when all the surface tensions are equal and when they have different values. To rationalise the phase diagram of possible phase separation mechanisms, previous theoretical works typically rely on analysing the sign of the eigenvalues resulting from a simple linear stability analysis, but we find this does not explain the observed simulation results. Here, we classify the possible separation pathways into four basic mechanisms, and develop a phenomenological model that captures the composition regimes where each mechanism is prevalent.

Systematic characterization of effect of flow rates and buffer compositions on double emulsion droplet volumes and stability.

Double emulsion droplets (DEs) are water/oil/water droplets that can be sorted fluorescence-activated cell sorting (FACS), allowing for new opportunities in high-throughput cellular analysis, enzymatic screening, and synthetic biology. These applications require stable, uniform droplets with predictable microreactor volumes. However, predicting DE droplet size, shell thickness, and stability as a function of flow rate has remained challenging for monodisperse single core droplets and those containing biologically-relevant buffers, which influence bulk and interfacial properties.

Apparent contact angle of drops on liquid infused surfaces: geometric interpretation.

We theoretically investigate the apparent contact angle of drops on liquid infused surfaces as a function of the relative size of the wetting ridge and the deposited drop. We provide an intuitive geometrical interpretation whereby the variation in the apparent contact angle is due to the rotation of the Neumann triangle at the lubricant-drop-gas contact line. We also derive linear and quadratic corrections to the apparent contact angle as power series expansion in terms of pressure differences between the lubricant, drop and gas phases.

Tailoring the multistability of origami-inspired, buckled magnetic structures compression and creasing.

Origami-inspired multistable structures are gaining increasing interest because of their potential applications in fields ranging from deployable structures to reconfigurable microelectronics. The multistability of such structures is critical for their applications but is challenging to manipulate due to the highly nonlinear deformations and complex configurations of the structures. Here, a comprehensive experimental and computational study is reported to tailor the multistable states of origami-inspired, buckled ferromagnetic structures and their reconfiguration paths.

Intracellular wetting mediates contacts between liquid compartments and membrane-bound organelles.

Protein-rich droplets, such as stress granules, P-bodies, and the nucleolus, perform diverse and specialized cellular functions. Recent evidence has shown the droplets, which are also known as biomolecular condensates or membrane-less compartments, form by phase separation. Many droplets also contact membrane-bound organelles, thereby functioning in development, intracellular degradation, and organization.

Control of Superselectivity by Crowding in Three-Dimensional Hosts.

Motivated by the fine compositional control observed in membraneless droplet organelles in cells, we investigate how a sharp binding-unbinding transition can occur between multivalent client molecules and receptors embedded in a porous three-dimensional structure. In contrast to similar superselective binding previously observed at surfaces, we have identified that a key effect in a three-dimensional environment is that the presence of inert crowding agents can significantly enhance or even introduce superselectivity. In essence, molecular crowding initially suppresses binding via an entropic penalty, but the clients can then more easily form many bonds simultaneously.

Capillary Bridges on Liquid-Infused Surfaces.

We numerically study two-component capillary bridges formed when a liquid droplet is placed in between two liquid-infused surfaces (LIS). In contrast to commonly studied one-component capillary bridges on noninfused solid surfaces, two-component liquid bridges can exhibit a range of different morphologies where the liquid droplet is directly in contact with two, one, or none of the LIS substrates. In addition, the capillary bridges may lose stability when compressed due to the envelopment of the droplet by the lubricant.

Predicting Hemiwicking Dynamics on Textured Substrates.

The ability to predict liquid transport rates on textured surfaces is key to the design and optimization of devices and processes such as oil recovery, coatings, reaction-separation, high-throughput screening, and thermal management. In this work we develop a fully analytical model to predict the propagation coefficients for liquids hemiwicking through micropillar arrays. This is carried out by balancing the capillary driving force and a viscous resistive force and solving the Navier-Stokes equation for representative channels.

Self-propelled droplet transport on shaped-liquid surfaces.

The transport of small amounts of liquids on solid surfaces is fundamental for microfluidics applications. Technologies allowing control of droplets of liquid on flat surfaces generally involve the generation of a wettability contrast. This approach is however limited by the resistance to motion caused by the direct contact between the droplet and the solid.

Phase transitions on non-uniformly curved surfaces: coupling between phase and location.

For particles confined to two dimensions, any curvature of the surface affects the structural, kinetic and thermodynamic properties of the system. If the curvature is non-uniform, an even richer range of behaviours can emerge. Using a combination of bespoke Monte Carlo, molecular dynamics and basin-hopping methods, we show that the stable states of attractive colloids confined to non-uniformly curved surfaces are distinguished not only by the phase of matter but also by their location on the surface.

Factors controlling the pinning force of liquid droplets on liquid infused surfaces.

Liquid infused surfaces with partially wetting lubricants have recently been exploited for numerous intriguing applications, such as for droplet manipulation, droplet collection and spontaneous motion. When partially wetting lubricants are used, the pinning force is a key factor that can strongly affect droplet mobility. Here, we derive an analytical prediction for contact angle hysteresis in the limit where the meniscus size is much smaller than the droplet, and numerically study how it is controlled by the solid fraction, the lubricant wetting angles, and the various fluid surface tensions.

Unrestrained ESCRT-III drives micronuclear catastrophe and chromosome fragmentation.

The ESCRT-III membrane fission machinery maintains the integrity of the nuclear envelope. Although primary nuclei resealing takes minutes, micronuclear envelope ruptures seem to be irreversible. Instead, micronuclear ruptures result in catastrophic membrane collapse and are associated with chromosome fragmentation and chromothripsis, complex chromosome rearrangements thought to be a major driving force in cancer development.

Critical Pressure Asymmetry in the Enclosed Fluid Diode.

Joint physically and chemically pattered surfaces can provide efficient and passive manipulation of fluid flow. The ability of many of these surfaces to allow only unidirectional flow means they are often termed fluid diodes. Synthetic analogues of these are enabling technologies from sustainable water collection via fog harvesting to improved wound dressings.

Effect of Ageing on the Structure and Properties of Model Liquid-Infused Surfaces.

Liquid-infused surfaces (LISs) exhibit unique properties that make them ideal candidates for a wide range of applications, from antifouling and anti-icing coatings to self-healing surfaces and controlled wetting. However, when exposed to realistic environmental conditions, LISs tend to age and progressively lose their desirable properties, potentially compromising their application. The associated ageing mechanisms are still poorly understood, and results reflecting real-life applications are scarce.

Self-assembly of small molecules at hydrophobic interfaces using group effect.

Although common in nature, the self-assembly of small molecules at sold-liquid interfaces is difficult to control in artificial systems. The high mobility of dissolved small molecules limits their residence at the interface, typically restricting the self-assembly to systems under confinement or with mobile tethers between the molecules and the surface. Small hydrogen-bonding molecules can overcome these issues by exploiting group-effect stabilization to achieve non-tethered self-assembly at hydrophobic interfaces.

Multicomponent flow on curved surfaces: A vielbein lattice Boltzmann approach.

We develop and implement a finite difference lattice Boltzmann scheme to study multicomponent flows on curved surfaces, coupling the continuity and Navier-Stokes equations with the Cahn-Hilliard equation to track the evolution of the binary fluid interfaces. The standard lattice Boltzmann method relies on regular Cartesian grids, which makes it generally unsuitable to study flow problems on curved surfaces. To alleviate this limitation, we use a vielbein formalism to write the Boltzmann equation on an arbitrary geometry, and solve the evolution of the fluid distribution functions using a finite difference method.

Learning dynamical information from static protein and sequencing data.

Many complex processes, from protein folding to neuronal network dynamics, can be described as stochastic exploration of a high-dimensional energy landscape. Although efficient algorithms for cluster detection in high-dimensional spaces have been developed over the last two decades, considerably less is known about the reliable inference of state transition dynamics in such settings. Here we introduce a flexible and robust numerical framework to infer Markovian transition networks directly from time-independent data sampled from stationary equilibrium distributions.