Related papers: Characterizations of sharp solute-solvent interfac…
We use conformal maps to study a free boundary problem for a two-fluid electromechanical system, where the interface between the fluids is determined by the combined effects of electrostatic forces, gravity and surface tension. The free…
We present results from extensive molecular dynamics simulations of collapse transitions of hydrophobic polymers in explicit water focused on understanding effects of lengthscale of the hydrophobic surface and of attractive interactions on…
Adsorption of small amphiphilic molecules occurs in various biological and technological processes, sometimes desired, the other times unwanted (e.g., contamination). Surface-active molecules preferentially bind to interfaces and affect…
Mesoscale water-hydrophobic interfaces are of fundamental importance in multiple disciplines, but their molecular properties have remained elusive for decades due to experimental complications and alternate theoretical explanations.…
We consider the elliptic equation $-\Delta u = f(u)$ in the whole $\R^{2m}$, where $f$ is of bistable type. It is known that there exists a saddle-shaped solution in $\R^{2m}$. This is a solution which changes sign in $\R^{2m}$ and vanishes…
The pseudopotential model within the Lattice Boltzmann Method (LBM) framework has emerged as a prominent approach in computational fluid dynamics due to its dual strengths in physical intuitiveness and computational tractability. However,…
Silicone is frequently used as a model system to investigate and tune wetting on soft materials. Silicone is biocompatible and shows excellent thermal, chemical, and UV stability. Moreover, the mechanical properties of the surface can be…
We introduce and study the behavior of a tethered membrane of non-zero thickness embedded in three dimensions subject to an effective self-attraction induced by hydrophobicity arising from the tendency to minimize the area exposed to a…
This work outlines a new multi-physics-compatible immersed rigid body method for Eulerian finite-volume simulations. To achieve this, rigid bodies are represented as a diffuse scalar field and an interface seeding method is employed to…
Recent studies of the hydration of micro- and nanoscale solutes have demonstrated a strong {\it coupling} between hydrophobic, dispersion and electrostatic contributions, a fact not accounted for in current implicit solvent models. We…
In the present paper, a fluid-particle coupling method is directly derived from the Navier-Stokes equations (NSE) by applying the concept of volume-filtering, yielding a physically consistent methodology to incorporate solid wall boundary…
We propose a sharp interface model for simulating solid-state dewetting where the surface energy is (weakly) anisotropic. The morphology evolution of thin films is governed by surface diffusion and contact line migration. The mathematical…
Fluid interfaces, such as soap films, liquid droplets or lipid membranes, are known to give rise to several special geometries, whose complexity and beauty continue to fascinate us, as observers of the natural world, and challenge us as…
We propose a new diffuse interface model for simulating an inductionless magnetohydrodynamic (MHD) free surface problem. By using the Onsager's variational principle and the laws of thermodynamics, we derive a thermodynamically consistent…
This work outlines a new three-dimensional diffuse interface finite volume method for the simulation of multiple solid and fluid components featuring large deformations, sliding and void opening. This is achieved by extending an existing…
We present an enhanced immersed interface method for simulating incompressible fluid flows in thin gaps between closely spaced immersed boundaries. This regime, common in engineered structures such as including tribological interfaces and…
This paper proposes a diffusive wetting model for the weakly-compressible smoothed particle hydrodynamics (WCSPH) method to simulate individual water entry/exit as well as the complete process from water entry to exit. The model is composed…
We present a coarse-grained lattice model of solvation thermodynamics and the hydrophobic effect that implements the ideas of Lum-Chandler-Weeks (LCW) theory [J. Phys. Chem. B 103, 4570 (1999)] and improves upon previous lattice models…
Shallow free surface flows are often characterized by both subdomains that require high modeling complexity and subdomains that can be sufficiently accurately modeled with low modeling complexity. Moreover, these subdomains may change in…
We analyze the problem of the helix-coil transition in explicit solvents analytically by using spin-based models incorporating two different mechanisms of solvent action: explicit solvent action through the formation of solvent-polymer…