Related papers: Cavity-ligand binding in a simple two-dimensional …
Liquid-liquid wetting failure is investigated in a two-dimensional Couette system with two immiscible fluids of arbitrary viscosity. The problem is solved exactly using a sharp interface treatment of hydrodynamics (lubrication theory) as a…
We developed a computational framework for simulating thin fluid flow in narrow interfaces between contacting solids, which is relevant for a range of engineering, biological and geophysical applications. The treatment of this problem…
Bulk water presents a large number of crystalline and amorphous ices. Hydrophobic nanoconfinement is known to affect the tendency of water to form ice and to reduce the melting temperature. However, a systematic study of the ice phases in…
We introduce an exactly solvable statistical-mechanical model of the hydration of non-polar compounds, based on grouping water molecules in clusters where hydrogen bonds and isotropic interactions occur; interactions between clusters are…
Wettability of a surface depends on both surface chemistry and topography. To move a three-phase contact line, a de-pinning force needs to be applied, which is of practical importance in various applications. However, a unified…
Flexible rings and rectangle structures floating at the surface of water are prone to deflect under the action of surface pressure induced by the addition of surfactant molecules on the bath. While the frames of rectangles bend inward or…
Cellulose is one of the most versatile substances in the world. Its immense variety of applications was in recent years complemented by interesting nanotechnological applications. The fabrication of complex cellulose-based materials asks…
We study the global influence of curvature on the free energy landscape of two-dimensional binary mixtures confined on closed surfaces. Starting from a generic effective free energy, constructed on the basis of symmetry considerations and…
The structure and nature of water confined between hydrophobic molybdenum disulfide (MoS2) and graphene (Gr) are investigated at room temperature by means of atomic force microscopy. We find the formation of two-dimensional (2D) crystalline…
The results of x-ray reflectivity studies of two oil/water (liquid/liquid) interfaces are inconsistent with recent predictions of the presence of a vapor-like depletion region at hydrophobic/aqueous interfaces. One of the oils,…
The covalent-like characteristics of hydrogen bonds offer a new perspective on intermolecular interactions. Here, using density functional theory and post-Hartree-Fock methods, we reveal that there are two bonding molecular orbitals (MOs)…
We present a strongly-coupled immersed-boundary method for flow-structure interaction problems involving thin deforming bodies. The method is stable for arbitrary choices of solid-to-fluid mass ratios and for large body motions. As with…
The great challenge with biological membrane systems is the wide range of scales involved, from nanometers and picoseconds for individual lipids, to the micrometers and beyond millisecond for cellular signalling processes. While…
It is well accepted that an outward Marangoni convection from a low surface tension region will make the surface depressed. Here, we report that this established perception is only valid for thin liquid films. Using surface laser heating,…
Extensive molecular dynamics computer simulations have been conducted for ethanol-water liquid mixtures in the water-rich side of the composition range, with 10, 20 and 30 mol % of the alcohol, at temperatures between room temperature and…
Superhydrophobic surfaces have been shown to produce significant drag reduction in both laminar and turbulent flows by introducing an apparent slip velocity along an air-water interface trapped within the surface roughness. In the…
We investigate the wetting properties of surfaces patterned with fine elastic hairs, with an emphasis on identifying superhydrophobic states on hydrophilic hairs. We formulate a two dimensional model of a large drop in contact with a row of…
Water adsorption on silicate surfaces is a critical yet poorly understood process relevant to, e.g., mineral weathering and cement hydration. This study investigates the structure of water overlayers on a model calcium silicate, the…
This paper presents the development of a density-based solver suitable for cavitating flows in the OpenFOAM framework. In this solver, the thermodynamic equilibrium mixture approach is adopted to model the presence of and the phase…
We demonstrate for the first time a tight binding model for water incorporating polarizable anions. A novel aspect is that we adopt a "ground up" approach in that properties of the monomer and dimer only are fitted. Subsequently we make…