Related papers: Application of the level-set method to the implici…
A kinetic model of the electron transfer at the electrode / electrolyte solution interface is developed, implemented in a Monte Carlo framework, and applied to simulate this process in idealised systems consisting of the primitive model of…
For many applications, we need to use techniques to represent convex shapes and objects. In this work, we use level set method to represent shapes and find a necessary and sufficient condition on the level set function to guarantee the…
Analysis of an interface stabilised finite element method for the scalar advection-diffusion-reaction equation is presented. The method inherits attractive properties of both continuous and discontinuous Galerkin methods, namely the same…
We demonstrate that with two small modifications, the popular dielectric continuum model is capable of predicting, with high accuracy, ion solvation thermodynamics in numerous polar solvents, and ion solvation free energies in…
Based on the thermodynamic variation, we rigorously derive the sharp-interface model for solid-state dewetting on a flat substrate in the form of cylindrical symmetry. The governing equations for the model belong to fourth-order geometric…
Laguerre tessellations of macromolecules capture properties such as molecular interface surfaces, volumes and cavities. Explicit solvent molecular dynamics simulations of a macromolecule are slow as the number of solvent atoms considered…
A novel coupled level-set lattice Boltzmann method on adaptive Cartesian grids for simulating liquid-gas multiphase flows is presented. The approach addresses the inherent challenges of accurately modeling multiphase systems characterized…
The Immersed Boundary Method (IBM) is one of the popular one-fluid mixed Eulerian-Lagrangian methods to simulate motion of droplets. While the treatment of a moving complex boundary is an extremely time consuming and formidable task in a…
In this paper, we propose to use the eikonal equation as a boundary condition when advective or normal flow equations in the level set formulation are solved numerically on polyhedral meshes in the three-dimensional domain. Since the level…
This study presents an advanced sharp-interface immersed boundary method (IBM) integrated with the blastFOAM library on the OpenFOAM platform for high-speed compressible flow simulations. The developed solver extends the existing IBM…
We propose here the use of the variational level set methodology to capture Lagrangian vortex boundaries in 2D unsteady velocity fields. This method reformulates earlier approaches that seek material vortex boundaries as extremum solutions…
Two-component liquid-vapor systems are modeled as two bulk phases divided by a two-dimensional surface phase and the mass and momentum balances are theoretically studied. Comparing the derived equations with some typical models of surface…
We investigate interfacial fluid dynamics and heat transfer at nanoscales using an improved diffuse interface approach for liquid-vapor interfaces in non-equilibrium. Conventional Navier-Stokes-Korteweg (NSK) formulations often fail to…
We propose an efficient and accurate parametric finite element method (PFEM) for solving sharp-interface continuum models for solid-state dewetting of thin films with anisotropic surface energies. The governing equations of the…
An iterative solution method for fully nonlinear boundary value problems governing self-similar flows with a free boundary is presented. Specifically, the method is developed for application to water entry problems, which can be studied…
In this paper we use molecular dynamics (MD) to answer a classical question: how does the surface tension on a liquid/gas interface appear? After defining surface tension from the first principles and performing several consistency checks,…
This report summarises the results for the numerical simulation of thermocapillary convection in a two-fluid system with a deformable interface. An explicit technique with 3rd order Runge-Kutta method in time, 2nd order ENO for the…
Fluid-structure systems occur in a range of scientific and engineering applications. The immersed boundary(IB) method is a widely recognized and effective modeling paradigm for simulating fluid-structure interaction(FSI) in such systems,…
Phospholipidic membranes and vesicles constitute a basic element in real biological functions. Vesicles are viewed as a model system to mimic basic viscoelastic behaviors of some cells, like red blood cells. Phase field and level-set models…
This paper tests a dielectric model for variation of hydration free energy with geometry of complex solutes in water. It works out some basic aspects of the theory of boundary integral methods for these problems. One aspect of the…