Related papers: Solid-liquid interfacial free energy from computer…
Solid-liquid interfaces are at the heart of many modern-day technologies and provide a challenge to many materials simulation methods. A realistic first-principles computational study of such systems entails the inclusion of solvent…
We propose a neural physics system for real-time, interactive fluid simulations. Traditional physics-based methods, while accurate, are computationally intensive and suffer from latency issues. Recent machine-learning methods reduce…
Atoms at liquid metal surfaces are known to form layers parallel to the surface. We analyze the two-dimensional arrangement of atoms within such layers at the surface of liquid sodium, using ab initio molecular dynamics (MD) simulations…
This paper introduces a sharp interface method to simulate fluid-structure interaction (FSI) involving rigid bodies immersed in viscous incompressible fluids. The capabilities of this methodology are demonstrated for a range of benchmark…
We investigate the evolution of interfaces among phases of the interstellar medium with different temperature. It is found that, for some initial conditions, the dynamical effects related to conductive fronts are very important even if…
Mathematical modeling of fluid dynamics for computer graphics requires high levels of theoretical rigor to ensure visually plausible and computationally efficient simulations. This paper presents an in-depth theoretical framework analyzing…
We study, by means of computer simulations, the crystal-melt interface of three different systems: hard-spheres, Lennard Jones and the TIP4P/2005 water model. In particular, we focus on the dynamics of surface waves. We observe that the…
In this paper we consider the effect of surface heterogeneity on the slippage of fluid, using two complementary approaches. First, MD simulations of a corrugated hydrophobic surface have been performed. A dewetting transition, leading to a…
The standard Maxwell formulation of the problem of polarized dielectrics suffers from a number of difficulties, both conceptual and practical. These difficulties are particularly significant in the case of liquid interfaces, where the…
A conventional study of fluid simulation involves different stages including conception, simulation, visualization, and analysis tasks. It is, therefore, necessary to switch between different software and interactive contexts which implies…
Water freezing in particle suspensions widely exists in nature. As a typical physical system of free boundary problem, the spatiotemporal evolution of the solid/liquid interface not only origins from phase transformation but also from…
The influence of a fluid-fluid interface on self-phoresis of chemically active, axially symmetric, spherical colloids is analyzed. Distinct from the studies of self-phoresis for colloids trapped at fluid interfaces or in the vicinity of…
Many key industrial processes, from electricity production, conversion and storage to electrocatalysis or electrochemistry in general, rely on physical mechanisms occurring at the interface between a metallic electrode and an electrolyte…
We study a stationary 3D/2D fluid-structure interaction problem between an elastic structure described by the linear plate equation and a fluid described by the compressible Navier-Stokes equations with hard-sphere pressure and…
We study the effective forces acting between colloidal particles trapped at a fluid interface which itself is exposed to a pressure field. To this end we apply what we call the ``force approach'', which relies solely on the condition of…
Implicit solvation is an effective, highly coarse-grained approach in atomic-scale simulations to account for a surrounding liquid electrolyte on the level of a continuous polarizable medium. Originating in molecular chemistry with finite…
This paper presents a method for modelling interfacial mass transfer in Interface Capturing simulations of two-phase flow with phase change. The model enables mechanistic prediction of the local rate of phase change at the vapour-liquid…
Second order perturbation solutions of profiles of bubbles suspended in liquid and liquid gas interfaces when liquid all sinks in the bottom under different accelerations are derived. Six procedures are developed based on these solutions,…
Thermal transport through liquid-solid interfaces plays an important role in many chemical and biological processes, and better understanding of liquid-solid energy transfer is expected to enable improving the efficiency of thermally driven…
We study the dynamics of the interface between two immiscible fluids in contact with a chemically homogeneous moving solid plate. We consider the generic case of two fluids with any viscosity ratio and of a plate moving in either directions…