Nonequilibrium molecular dynamics simulations of nanoconfined fluids at solid-liquid interfaces
We investigate the hydrodynamic properties of a Lennard-Jones fluid confined to a
nanochannel using molecular dynamics simulations. For channels of different widths and …
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 …
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 …
molecular simulations by using the Gaussian convolution method of Willard and Chandler [J …
Pseudospectral methods for density functional theory in bounded and unbounded domains
Abstract Classical Density Functional Theory (DFT) is a statistical–mechanical framework to
analyse fluids, which accounts for nanoscale fluid inhomogeneities and non-local …
analyse fluids, which accounts for nanoscale fluid inhomogeneities and non-local …
Dynamical density functional theory for the evaporation of droplets of nanoparticle suspension
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 …
planar surface, using dynamical density functional theory (DDFT) to describe the time …
Dynamical density functional theory with hydrodynamic interactions in confined geometries
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 …
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 …
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 …
waves under the assumption that the density is given along lines normal to the interface …
Thermal fluctuations of an interface near a contact line
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 …
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
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 …
the film thickness due to unfavourable intermolecular interactions between the liquid and the …