Nonequilibrium molecular dynamics simulations of nanoconfined fluids at solid-liquid interfaces

M Morciano, M Fasano, A Nold, C Braga… - The Journal of …, 2017 - pubs.aip.org
We investigate the hydrodynamic properties of a Lennard-Jones fluid confined to a
nanochannel using molecular dynamics simulations. For channels of different widths and …

Hydrodynamic density-functional theory for the moving contact-line problem reveals fluid structure and emergence of a spatially distinct pattern

A Nold, BD Goddard, DN Sibley, S Kalliadasis - Physical Review Fluids, 2024 - APS
Understanding the nanoscale effects controlling the dynamics of a contact line—defined as
the line formed at the junction of two fluid phases and a solid—has been a longstanding …

[HTML][HTML] On the equilibrium contact angle of sessile liquid drops from molecular dynamics simulations

S Ravipati, B Aymard, S Kalliadasis… - The Journal of chemical …, 2018 - pubs.aip.org
We present a new methodology to estimate the contact angles of sessile drops from
molecular simulations by using the Gaussian convolution method of Willard and Chandler [J …

Pseudospectral methods for density functional theory in bounded and unbounded domains

A Nold, BD Goddard, P Yatsyshin, N Savva… - Journal of …, 2017 - Elsevier
Abstract Classical Density Functional Theory (DFT) is a statistical–mechanical framework to
analyse fluids, which accounts for nanoscale fluid inhomogeneities and non-local …

Dynamical density functional theory for the evaporation of droplets of nanoparticle suspension

C Chalmers, R Smith, AJ Archer - Langmuir, 2017 - ACS Publications
We develop a lattice gas model for the drying of droplets of a nanoparticle suspension on a
planar surface, using dynamical density functional theory (DDFT) to describe the time …

Dynamical density functional theory with hydrodynamic interactions in confined geometries

BD Goddard, A Nold, S Kalliadasis - The Journal of Chemical Physics, 2016 - pubs.aip.org
We study the dynamics of colloidal fluids in both unconfined geometries and when confined
by a hard wall. Under minimal assumptions, we derive a dynamical density functional theory …

Dynamical density functional theory for orientable colloids including inertia and hydrodynamic interactions

MA Durán-Olivencia, BD Goddard… - Journal of Statistical …, 2016 - Springer
Over the last few decades, classical density-functional theory (DFT) and its dynamic
extensions (DDFTs) have become powerful tools in the study of colloidal fluids. Recently …

Capillary wave theory of adsorbed liquid films and the structure of the liquid-vapor interface

LG MacDowell - Physical Review E, 2017 - APS
In this paper we try to work out in detail the implications of a microscopic theory for capillary
waves under the assumption that the density is given along lines normal to the interface …

Thermal fluctuations of an interface near a contact line

D Belardinelli, M Sbragaglia, M Gross, B Andreotti - Physical Review E, 2016 - APS
The effect of thermal fluctuations near a contact line of a liquid interface partially wetting an
impenetrable substrate is studied analytically and numerically. Promoting both the interface …

Self-similar finite-time singularity formation in degenerate parabolic equations arising in thin-film flows

MC Dallaston, D Tseluiko, Z Zheng, MA Fontelos… - …, 2017 - iopscience.iop.org
A thin liquid film coating a planar horizontal substrate may be unstable to perturbations in
the film thickness due to unfavourable intermolecular interactions between the liquid and the …