Related papers: Determining the Dielectric Constant of Solid/Liqui…
In this work we study the ice-water interface under coexistence conditions by means of molecular simulations using the TIP4P/2005 water model. Following the methodology proposed by Hoyt and co-workers [J. J. Hoyt, M. Asta and A. Karma,…
We prove that there are stationary solutions to the 2D incompressible free boundary Euler equations with two fluids, possibly with a small gravity constant, that feature a splash singularity. More precisely, in the solutions we construct…
Linear dielectric thermodynamics are formally developed to explore the isothermal and adiabatic temperature - pressure dependence of dielectric constants. The refractive index of optical materials is widely measured in the literature: it is…
Recent molecular simulation and integral equation results alkali-halide ion pair potentials-of-mean-force in water are discussed. Dielectric model calculations are implemented to check that these models produce that characteristic structure…
This study presents analytical and numerical investigations of Marangoni interfacial instability in a two-liquid-layer system with constant solute transfer across the interface. While previous research has established that both diffusivity…
Cold atomic ensembles offer precise tools for probing near-field interactions, yet experimental data linking atom dynamics to surface-induced forces remains limited. This study investigated the interaction between atoms and a dielectric…
Water at solid surfaces is key for many processes ranging from biological signal transduction to membrane separation and renewable energy conversion. However, under realistic conditions, which often include environmental and surface charge…
Many microfluidics devices, coating processes or diphasic flows involve the motion of a liquid meniscus on a wet wall. This motion induces a specific viscous force, that exhibits a non-linear dependency in the meniscus velocity. We propose…
We present a parametric finite element approximation of two-phase flow. This free boundary problem is given by the Navier--Stokes equations in the two phases, which are coupled via jump conditions across the interface. Using a novel…
In this paper we present an approach aimed at calculating the optical dielectric constant of crystalline insulators both at the Hartree-Fock, and correlated levels. Our scheme employs a real-space methodology, employing Wannier functions as…
Multiphase flows are commonly found in chemical engineering processes such as distillation columns, bubble columns, fluidized beds and heat exchangers. The physical boundaries of domains in numerical simulations of multiphase flows are…
Treating water as a linearly responding dielectric continuum on molecular length scales allows very simple estimates of solvation structure and thermodynamics for charged and polar solutes. While this approach can successfully account for…
The dynamics of particles attached to an interface separating two immiscible fluids are encountered in a wide variety of applications. Here we present a combined asymptotic and numerical investigation of the fluid motion past spherical…
A variational theory is developed to study electrolyte solutions, composed of interacting point-like ions in a solvent, in the presence of dielectric discontinuities and charges at the boundaries. Three important and non-linear…
The electrified solid-liquid interface plays an essential role in many renewable energy-related applications, including hydrogen production and utilization. Limitations in computational modelling of the electrified solid-liquid interface…
The Kerr effect on vesicle-like droplets is described. We give a simple derivation of the Kerr constant for a dielectric fluid droplet immersed in another fluid, assuming that the droplet in an electric field becomes a prolate ellipsoid.…
Multiphase flows are characterized by sharp moving interfaces, separating different fluids or phases. In many cases the dynamics of the interface determines the behavior of the flow. In a coarse, or reduced order model, it may therefore be…
The water/electrode interface under an applied bias potential is a challenging out-of-equilibrium phenomenon, which is difficult to accurately model at the atomic scale. In this study, we employ a combined approach of Density Functional…
To comprehend the complexities of the ice-water interface, we perform a study that attempts to correlate the altered dynamics of water to its perturbed structure at, and due to, the interface. The deviation from bulk values of structural…
Structural correlations at a liquid-solid interface were explored with molecular dynamics simulations of a model aluminium system using the Ercolessi-Adams potential and up to 4320 atoms. Substrate atoms were pinned to their equilibrium…