Controllable ingestion and release of guest components driven by interfacial molecular orientation of host liquid crystal droplets.

Controllable construction and manipulation of artificial multi-compartmental structures are crucial in understanding and imitating smart molecular elements such as biological cells and on-demand delivery systems. Here, we report a liquid crystal droplet (LCD) based three-dimensional system for controllable and reversible ingestion and release of guest aqueous droplets (GADs). Induced by interfacial thermodynamic fluctuation and internal topological defect, microscale LCDs with perpendicular anchoring condition at the interface would spontaneously ingest external components from the surroundings and transform them as radially assembled tiny GADs inside LCDs.

Onsager's variational principle in active soft matter.

Onsagers variational principle (OVP) was originally proposed by Lars Onsager in 1931 [L. Onsager, Phys. Rev.

Stochastic dynamics of an active particle escaping from a potential well.

Active matter systems are driven out of equilibrium by the energy directly supplied at the level of constituent active particles that are self-propelled. We consider a model for an active particle in a potential well, characterized by an active velocity with a constant magnitude but a random orientation subject to white noises. We are interested in the escape of the active particle from the potential well in multiple-dimensional space.

Generalized Lorentz reciprocal theorem in complex fluids and in non-isothermal systems.

The classical Lorentz reciprocal theorem (LRT) was originally derived for slow viscous flows of incompressible Newtonian fluids under the isothermal condition. In the present work, we extend the LRT from simple to complex fluids with open or moving boundaries that maintain non-equilibrium stationary states. In complex fluids, the hydrodynamic flow is coupled with the evolution of internal degrees of freedom such as the solute concentration in two-phase binary fluids and the spin in micropolar fluids.

A phenomenological approach to the deposition pattern of evaporating droplets with contact line pinning.

When an evaporating droplet of colloidal suspension dries on a solid surface with the contact line pinned, the solute particles are driven by the solvent flow toward the edge and form a ring-like deposition pattern. In this work, we take into account the contact angle hysteresis and incorporate it into the effective model of Man and Doi (2016 Phys. Rev.

Thermal singularity and contact line motion in pool boiling: Effects of substrate wettability.

The dynamic van der Waals theory [Phys. Rev. E 75, 036304 (2007)] is employed to model the growth of a single vapor bubble in a superheated liquid on a flat homogeneous substrate.

Determining hydrodynamic boundary conditions from equilibrium fluctuations.

The lack of a first-principles derivation has made the hydrodynamic boundary condition a classical issue for the past century. The fact that the fluid can have interfacial structures adds additional complications and ambiguities to the problem. Here we report the use of molecular dynamics to identify from equilibrium thermal fluctuations the hydrodynamic modes in a fluid confined by solid walls, thereby extending the application of the fluctuation-dissipation theorem to yield not only the accurate location of the hydrodynamic boundary at the molecular scale, but also the relevant parameter value(s) for the description of the macroscopic boundary condition.

Anisotropic particle in viscous shear flow: Navier slip, reciprocal symmetry, and Jeffery orbit.

The hydrodynamic reciprocal theorem for Stokes flows is generalized to incorporate the Navier slip boundary condition, which can be derived from Onsager's variational principle of least energy dissipation. The hydrodynamic reciprocal relations and the Jeffery orbit, both of which arise from the motion of a slippery anisotropic particle in a simple viscous shear flow, are investigated theoretically and numerically using the fluid particle dynamics method [Phys. Rev.

A Variational approach to thin film hydrodynamics of binary mixtures.

In order to model the dynamics of thin films of mixtures, solutions, and suspensions, a thermodynamically consistent formulation is needed such that various coexisting dissipative processes with cross couplings can be correctly described in the presence of capillarity, wettability, and mixing effects. In the present work, we apply Onsager's variational principle to the formulation of thin film hydrodynamics for binary fluid mixtures. We first derive the dynamic equations in two spatial dimensions, one along the substrate and the other normal to the substrate.

Single-bubble dynamics in pool boiling of one-component fluids.

We numerically investigate the pool boiling of one-component fluids with a focus on the effects of surface wettability on the single-bubble dynamics. We employed the dynamic van der Waals theory [Phys. Rev.

Pancake bouncing on superhydrophobic surfaces.

Engineering surfaces that promote rapid drop detachment1,2 is of importance to a wide range of applications including anti-icing3-5, dropwise condensation6, and self-cleaning7-9. Here we show how superhydrophobic surfaces patterned with lattices of submillimetre-scale posts decorated with nano-textures can generate a counter-intuitive bouncing regime: drops spread on impact and then leave the surface in a flattened, pancake shape without retracting. This allows for a four-fold reduction in contact time compared to conventional complete rebound1,10-13.

Hydrodynamics of Leidenfrost droplets in one-component fluids.

Using the dynamic van der Waals theory [Phys. Rev. E 75, 036304 (2007)], we numerically investigate the hydrodynamics of Leidenfrost droplets under gravity in two dimensions.

Molecular dynamics simulations for the motion of evaporative droplets driven by thermal gradients along nanochannels.

For a one-component fluid on a solid substrate, a thermal singularity may occur at the contact line where the liquid-vapor interface intersects the solid surface. Physically, the liquid-vapor interface is almost isothermal at the liquid-vapor coexistence temperature in one-component fluids while the solid surface is almost isothermal for solids of high thermal conductivity. Therefore, a temperature discontinuity is formed if the two isothermal interfaces are of different temperatures and intersect at the contact line.

Thermal singularity and droplet motion in one-component fluids on solid substrates with thermal gradients.

Using a continuum model capable of describing the one-component liquid-gas hydrodynamics down to the contact line scale, we carry out numerical simulation and physical analysis for the droplet motion driven by thermal singularity. For liquid droplets in one-component fluids on heated or cooled substrates, the liquid-gas interface is nearly isothermal. Consequently, a thermal singularity occurs at the contact line and the Marangoni effect due to temperature gradient is suppressed.

Droplet motion in one-component fluids on solid substrates with wettability gradients.

Droplet motion on solid substrates has been widely studied not only because of its importance in fundamental research but also because of its promising potentials in droplet-based devices developed for various applications in chemistry, biology, and industry. In this paper, we investigate the motion of an evaporating droplet in one-component fluids on a solid substrate with a wettability gradient. As is well known, there are two major difficulties in the continuum description of fluid flows and heat fluxes near the contact line of droplets on solid substrates, namely, the hydrodynamic (stress) singularity and thermal singularity.

Droplet spreading driven by van der Waals force: a molecular dynamics study.

The dynamics of droplet spreading is investigated by molecular dynamics simulations for two immiscible fluids of equal density and viscosity. All the molecular interactions are modeled by truncated Lennard-Jones potentials and a long-range van der Waals force is introduced to act on the wetting fluid. By gradually increasing the coupling constant in the attractive van der Waals interaction between the wetting fluid and the substrate, we observe a transition in the initial stage of spreading.

Contact line motion in confined liquid-gas systems: Slip versus phase transition.

In two-phase flows, the interface intervening between the two fluid phases intersects the solid wall at the contact line. A classical problem in continuum fluid mechanics is the incompatibility between the moving contact line and the no-slip boundary condition, as the latter leads to a nonintegrable stress singularity. Recently, various diffuse-interface models have been proposed to explain the contact line motion using mechanisms missing from the sharp-interface treatments in fluid mechanics.

Modeling and simulations for molecular scale hydrodynamics of the moving contact line in immiscible two-phase flows.

This paper starts with an introduction to the Onsager principle of minimum energy dissipation which governs the optimal paths of deviation and restoration to equilibrium. Then there is a review of the variational approach to moving contact line hydrodynamics. To demonstrate the validity of our continuum hydrodynamic model, numerical results from model calculations and molecular dynamics simulations are presented for immiscible Couette and Poiseuille flows past homogeneous solid surfaces, with remarkable overall agreement.

Nucleation of wetting films on cylindrical and spherical substrates: a numerical study by the string method.

Using the mean-field diffuse-interface model for liquid-vapor system and employing the numerical string method, we study the critical nuclei involved in the prewetting transitions on curved substrates. We first introduce three distinct kinds of critical nuclei, namely, the disklike, bandlike, and layerlike ones, which respectively correspond to three possible growth modes of wetting films. We show the disklike growth mode to be the only mode for infinite planar substrates.

Superconducting characteristics of 4-A carbon nanotube-zeolite composite.

We have fabricated nanocomposites consisting of 4-A carbon nanotubes embedded in the 0.7-nm pores of aluminophosphate-five (AFI) zeolite that display a superconducting specific heat transition at 15 K. MicroRaman spectra of the samples show strong and spatially uniform radial breathing mode (RBM) signals at 510 cm(-1) and 550 cm(-1), characteristic of the (4, 2) and (5, 0) nanotubes, respectively.

Generalized nematohydrodynamic boundary conditions with application to bistable twisted nematic liquid-crystal displays.

Parallel to the highly successful Ericksen-Leslie hydrodynamic theory for the bulk behavior of nematic liquid crystals (NLCs), we derive a set of coupled hydrodynamic boundary conditions to describe the NLC dynamics near NLC-solid interfaces. In our boundary conditions, translational flux (flow slippage) and rotational flux (surface director relaxation) are coupled according to the Onsager variational principle of least energy dissipation. The application of our boundary conditions to the truly bistable pi -twist NLC cell reveals a complete picture of the dynamic switching processes.

Application of the string method to the study of critical nuclei in capillary condensation.

We adopt a continuum description for liquid-vapor phase transition in the framework of mean-field theory and use the string method to numerically investigate the critical nuclei for capillary condensation in a slit pore. This numerical approach allows us to determine the critical nuclei corresponding to saddle points of the grand potential function in which the chemical potential is given in the beginning. The string method locates the minimal energy path (MEP), which is the most probable transition pathway connecting two metastable/stable states in configuration space.

Hydrodynamic slip boundary condition at chemically patterned surfaces: a continuum deduction from molecular dynamics.

We investigate the slip boundary condition for flows past a chemically patterned surface. Molecular dynamics simulations show that fluid forces and stresses vary laterally along the patterned surface. A subtraction scheme is developed to verify the validity of the Navier slip boundary condition, locally, for the patterned surface.

Power-law slip profile of the moving contact line in two-phase immiscible flows.

Large-scale molecular dynamics (MD) simulations on two-phase immiscible flows show that, associated with the moving contact line, there is a very large 1/x partial-slip region where x denotes the distance from the contact line. This power-law partial-slip region is verified in large-scale adaptive continuum calculations based on a local, continuum hydrodynamic formulation, which has proved successful in reproducing MD results at the nanoscale. Both MD simulations and numerical solutions of continuum equations indicate the existence of a universal slip profile in the Stokes-flow regime.

Molecular scale contact line hydrodynamics of immiscible flows.

From extensive molecular dynamics simulations on immiscible two-phase flows, we find the relative slipping between the fluids and the solid wall everywhere to follow the generalized Navier boundary condition, in which the amount of slipping is proportional to the sum of tangential viscous stress and the uncompensated Young stress. The latter arises from the deviation of the fluid-fluid interface from its static configuration. We give a continuum formulation of the immiscible flow hydrodynamics, comprising the generalized Navier boundary condition, the Navier-Stokes equation, and the Cahn-Hilliard interfacial free energy.