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## Publications

Publications (27)

Inhomogeneous fluids exhibit physical properties that are neither uniform nor isotropic. The pressure tensor is a case in point, key to the mechanical description of the interfacial region. Kirkwood and Buff and, later, Irving and Kirkwood, obtained a formal treatment based on the analysis of the pressure across a planar surface [J. G. Kirkwood and...

The paper by Nold et al. [Phys. Fluids 26 (7), 072001 (2014)] examined density profiles and the micro-scale structure of an equilibrium three-phase (liquid–vapour–solid) contact line in the immediate vicinity of the wall using elements from the statistical mechanics of classical fluids, namely density-functional theory. The present research note, b...

Inhomogeneous fluids exhibit physical properties that are neither uniform nor isotropic. The pressure tensor is a case in point, key to the mechanical description of the interfacial region. Kirkwood and Buff, and later Irving and Kirkwood, derived a formal treatment based on the analysis of the pressure across a planar surface [J.G. Kirkwood and F....

We investigate the hydrodynamic properties of a Lennard-Jones fluid confined to a nanochannel using molecular dynamics simulations. For channels of different widths and hydrophilic-hydrophobic surface wetting properties, profiles of the fluid density, stress, and viscosity across the channel are obtained and analysed. In particular, we propose a li...

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 (DDFT) which includes hydrodynamic interactions (HI; bath-mediated forces). By using an efficient numerical scheme based on pseudospectral methods for integro-differenti...

Classical Density Functional Theory (DFT) is a statistical-mechanical framework to analyze fluids, which accounts for nanoscale fluid inhomogeneities and non-local intermolecular interactions. DFT can be applied to a wide range of interfacial phenomena, as well as problems in adsorption, colloidal science and phase transitions in fluids. Typical DF...

The moving contact line problem is one of the main unsolved fundamental problems in fluid mechanics, with relevant physical phenomena spanning multiple scales, from the molecular to the macroscopic scale.
In this thesis, at the macroscale, it is shown that classical asymptotic analysis is applicable at the moving contact line. This allows for a dir...

In the work of Nold and Oberlack [Phys. Fluids 25, 104101 (2013)], it was shown that three different instability modes of the linear stability analysis perturbing a linear shear flowcan be derived in the common framework of Lie symmetry methods. These modes include the normal-mode, the Kelvin mode, and a new mode not reported before. As this was li...

We study the nanoscale behaviour of the density of a simple fluid in the
vicinity of an equilibrium contact line for a wide range of Young contact
angles between 40 and 135 degrees. Cuts of the density profile at various
positions along the contact line are presented, unravelling the apparent
step-wise increase of the film height profile observed i...

For contact line motion where the full Stokes flow equations hold, full matched asymptotic solutions using slip models have been obtained for droplet spreading and more general geometries. These solutions to the singular perturbation problem in the slip length, however, all involve matching through an intermediate region that is taken to be separat...

We examine the nanoscale behavior of an equilibrium three-phase contact line in the presence of long-ranged intermolecular forces by employing a statistical mechanics of fluids approach, namely density functional theory (DFT) together with fundamental measure theory (FMT). This enables us to evaluate the predictive quality of effective Hamiltonian...

Recent results published by Gugenberger et al. on surface diffusion (Phys. Rev. E, vol. 78, 2008, 016703), show that the sharp-interface limit of the phase field models often adopted in the literature fails to produce the appropriate boundary conditions. With this knowledge, we consider the sharp-interface limit of phase field models for binary flu...

We present a symmetry classification of the linearised Navier-Stokes
equations for a two-dimensional unbounded linear shear flow of an
incompressible fluid. The full set of symmetries is employed to systematically
derive invariant ansatz functions. The symmetry analysis grasps three
approaches. Two of them are existing ones, representing the classi...

A solid-liquid-gas moving contact line is considered through a
diffuse-interface model with the classical boundary condition of no-slip at the
solid surface. Examination of the asymptotic behaviour as the contact line is
approached shows that the relaxation of the classical model of a sharp
liquid-gas interface, whilst retaining the no-slip conditi...

The motion of a contact line is examined, and comparisons drawn, for a
variety of proposed models in the literature. We provide an overview and
extension of the original work on the moving contact line problem to elucidate
and motivate some of the proposed methods to alleviate the multivalued velocity
and nonintegrable stress and pressure singulari...

We study the dynamics of a multi-species colloidal fluid in the full position-momentum phase space. We include both inertia and hydrodynamic interactions, which strongly influence the non-equilibrium properties of the system. Under minimal assumptions, we derive a dynamical density functional theory (DDFT), and, using an efficient numerical scheme...

The behaviour of a solid-liquid-gas system near the three-phase contact line is considered using a diffuse-interface model with no-slip at the solid and where the fluid phase is specified by a continuous density field. Relaxation of the classical approach of a sharp liquid-gas interface and careful examination of the asymptotic behaviour as the con...

We study the dynamics of a colloidal fluid in the full position-momentum phase space, including hydrodynamic interactions, which strongly influence the non-equilibrium properties of the system. For large systems, the number of degrees of freedom prohibits direct simulation and a reduced model is necessary. Under standard assumptions, we derive a dy...

Starting from the Kramers equation for the phase-space dynamics of the N-body probability distribution, we derive a dynamical density functional theory (DDFT) for colloidal fluids including the effects of inertia and hydrodynamic interactions (HI). We compare the resulting theory to extensive Langevin dynamics simulations for both hard rod systems...

We study the dynamics of a colloidal fluid including inertia and hydrodynamic interactions, two effects which strongly influence the nonequilibrium properties of the system. We derive a general dynamical density functional theory which shows very good agreement with full Langevin dynamics. In suitable limits, we recover existing dynamical density f...

We study the dynamics of a colloidal fluid in the full position-
momentum phase space. These dynamics are modelled by stochastic
equations of motion for a large number of identical spherical particles.
We include the full hydrodynamic interactions, which strongly influence
the non-equilibrium properties of the system. For large systems, the
number...

In this Letter we examine an effective interfacial Hamiltonian approach for wetting phenomena based on two different density
approximations in the framework of a density functional theory. The system under consideration is an attractive spherical
wall subject to adsorption by a metastable liquid. We argue that, contrary to a planar geometry, in the...

We study the equilibrium of a liquid film on an attractive spherical substrate for an intermolecular interaction model exhibiting both fluid-fluid and fluid-wall long-range forces. We first reexamine the wetting properties of the model in the zero-curvature limit, i.e., for a planar wall, using an effective interfacial Hamiltonian approach in the f...

We examine the wetting properties of planar and spherical substrates using a mean-field density functional theory. Equilibrium density profiles of a fluid close to an attractive wall are obtained by solving an integral equation resulting from the minimization of the grand potential. Using a novel pseudo-arc length continuation scheme, we compute th...

For decades the stability of nearly parallel shear flows was primarily analyzed employing the Orr-Sommerfeld-Equation (OSE).We
show that the OSE is solely based on three symmetries of the linearized Navier-Stokes-Equation for two-dimensional perturbations.
In fact, the OSE is a similarity reduction using the latter three symmetries. Though rather s...

We study the behavior of very thin liquid films wetting homogeneous planar
and spherical substrates. In order to describe a simple fluid at very small
scales, we employ a classical density functional theory (DFT). Here, we model a
fluid with a local density approximation (LDA) for its hard-sphere contribution
and assume that the intermolecular attr...