Thermal capillary waves on bounded nanoscale thin films.

The effect of confining walls on the fluctuation of a nanoscale thin film's free surface is studied using stochastic thin-film equations (STFEs). Two canonical boundary conditions are employed to reveal the influence of the confinement: (1) an imposed contact angle and (2) a pinned contact line. A linear stability analysis provides the wave eigenmodes, after which thermal-capillary-wave theory predicts the wave fluctuation amplitudes.

Relaxation of Thermal Capillary Waves for Nanoscale Liquid Films on Anisotropic-Slip Substrates.

The relaxation dynamics of thermal capillary waves for nanoscale liquid films on anisotropic-slip substrates are investigated using both molecular dynamics (MD) simulations and a Langevin model. The anisotropy of slip on substrates is achieved using a specific lattice plane of a face-centered cubic lattice. This surface's anisotropy breaks the simple scalar proportionality between slip velocity and wall shear stress and requires the introduction of a slip-coefficient tensor.

Nanoscale thin-film flows with thermal fluctuations and slip.

The combined effects of thermal fluctuations and liquid-solid slip on nanoscale thin-film flows are investigated using stochastic lubrication equations (SLEs). The previous no-slip SLE for films on plates is extended to consider slip effects and a new SLE for films on fibers is derived, using a long-wave approximation to fluctuating hydrodynamics. Analytically derived capillary spectra, which evolve in time, are found from the new SLEs and compared to molecular dynamics simulations.

Bouncing off the Walls: The Influence of Gas-Kinetic and van der Waals Effects in Drop Impact.

A model is developed for liquid drop impact on a solid surface that captures the thin film gas flow beneath the drop, even when the film's thickness is below the mean free path in the gas so that gas kinetic effects (GKE) are important. Simulation results agree with experiments, with the impact speed threshold between bouncing and wetting reproduced to within 5%, while a model without GKE overpredicts this value by at least 50%. To isolate GKE, the pressure dependence of the threshold is mapped and provides experimentally verifiable predictions.

Molecular simulation of thin liquid films: Thermal fluctuations and instability.

The instability of a thin liquid film on a solid surface is studied both by molecular dynamics simulations (MD) and a stochastic thin-film equation (STF), which models thermal fluctuations with white noise. A linear stability analysis of the STF allows us to derive a power spectrum for the surface fluctuations, which is quantitatively validated against the spectrum observed in MD. Thermal fluctuations are shown to be critical to the dynamics of nanoscale films.

Accelerating multiscale modelling of fluids with on-the-fly Gaussian process regression.

We present a scheme for accelerating hybrid continuum-atomistic models in multiscale fluidic systems by using Gaussian process regression as a surrogate model for computationally expensive molecular dynamics simulations. Using Gaussian process regression, we are able to accurately predict atomic-scale information purely by consideration of the macroscopic continuum-model inputs and outputs and judge on the fly whether the uncertainty of our prediction is at an acceptable level, else a new molecular simulation is performed to continually augment the database, which is never required to be complete. This provides a substantial improvement over the current generation of hybrid methods, which often require many similar atomistic simulations to be performed, discarding information after it is used once.

A generalized optimization principle for asymmetric branching in fluidic networks.

When applied to a branching network, Murray's law states that the optimal branching of vascular networks is achieved when the cube of the parent channel radius is equal to the sum of the cubes of the daughter channel radii. It is considered integral to understanding biological networks and for the biomimetic design of artificial fluidic systems. However, despite its ubiquity, we demonstrate that Murray's law is only optimal (i.

The FADE mass-stat: a technique for inserting or deleting particles in molecular dynamics simulations.

The emergence of new applications of molecular dynamics (MD) simulation calls for the development of mass-statting procedures that insert or delete particles on-the-fly. In this paper we present a new mass-stat which we term FADE, because it gradually "fades-in" (inserts) or "fades-out" (deletes) molecules over a short relaxation period within a MD simulation. FADE applies a time-weighted relaxation to the intermolecular pair forces between the inserting/deleting molecule and any neighbouring molecules.

Velocity boundary condition at solid walls in rarefied gas calculations.

Maxwell's famous slip boundary condition is often misapplied in current rarefied gas flow calculations (e.g., in hypersonics, microfluidics).

New directions in fluid dynamics: non-equilibrium aerodynamic and microsystem flows.

Fluid flows that do not have local equilibrium are characteristic of some of the new frontiers in engineering and technology, for example, high-speed high-altitude aerodynamics and the development of micrometre-sized fluid pumps, turbines and other devices. However, this area of fluid dynamics is poorly understood from both the experimental and simulation perspectives, which hampers the progress of these technologies. This paper reviews some of the recent developments in experimental techniques and modelling methods for non-equilibrium gas flows, examining their advantages and drawbacks.