Related papers: Molecular simulation of fluid dynamics on the nano…
Molecular dynamics simulations at a constant electric potential are an essential tool to study electrochemical processes, providing microscopic information on the structural, thermodynamic, and dynamical properties. Despite the numerous…
The fluidic behavior of water at the micro/nano scale is studied by using of single DNA molecules as a model system. Stable curved DNA patterns with spans about one micron were generated by using of water flows, and observed by Atomic Force…
This paper develops a closed-form, analytical expression for the Darcy velocity of a Newtonian fluid flowing through a channel filled with a porous medium, bound by rigid walls and driven by a constant pressure gradient. We express the…
The synchronized molecular dynamics simulation via macroscopic heat and momentum transfer is proposed for the non-isothermal flow behaviors of complex fluids. In this method, the molecular dynamics simulations are assigned to small fluid…
The purpose of this article is to study the statics and dynamics of nanotubes by using the methods of continuum mechanics. The nanotube can be filled with only a liquid or a vapour phase according to the physicochemical characteristics of…
The aim of the paper is the study of fluid mixtures in nanotubes by the methods of continuum mechanics. The model starts from a statistical distribution in mean-field molecular theory and uses a density expansion of Taylor series. We get a…
In this paper, the impulse response for a 3-D microfluidic channel in the presence of Poiseuille flow is obtained by solving the diffusion equation in radial coordinates. Using the radial distribution, the axial distribution is then…
In this paper we study a Darcy-scale mathematical model for biofilm formation in porous media. The pores in the core are divided into three phases: water, oil, and biofilm. The water and oil flow are modeled by an extended version of…
Molecular dynamics simulations are performed for a finite non-relativistic system of particles with Lennard-Jones potential. We study the effect of liquid-gas mixed phase on particle number fluctuations in coordinate subspace. A metastable…
The objective of this study is to highlight the effect of porosity variation in a topology optimization process in the field of fluid dynamics. Usually a penalization term added to momentum equation provides to get material distribution.…
Consider the three-dimensional flow of a viscous Newtonian fluid upon an abitrarily curved substrate when the fluid film is thin as occurs in many draining, coating and biological flows. We derive a model of the dynamics of the film, the…
We investigate finite-size effects on diffusion in confined fluids using molecular dynamics simulations and hydrodynamic calculations. Specifically, we consider a Lennard-Jones fluid in slit pores without slip at the interface and show that…
Simulation of fluid flow in porous media has many applications, from the micro-scale (cell membranes, filters, rocks) to macro-scale (groundwater, hydrocarbon reservoirs, and geothermal) and beyond. Direct simulation of flow in porous media…
Dynamics of spreading of small droplets on surfaces has been studied by the molecular dynamics method. Simulations have been performed for mixtures of solvent and dimer, and solvent and tetramer droplets. For solvent particles and dimers,…
The Synchronized Molecular-Dynamics simulation which was recently proposed by authors [Phys. Rev. X {\bf 4}, 041011 (2014)] is applied to the analysis of polymer lubrication between parallel plates. The rheological properties,…
Explicit simulations of fluid mixtures of highly size-dispersed particles are constrained by numerical challenges associated with identifying pair-interaction neighbors. Recent algorithmic developments have ameliorated these difficulties to…
Equations governing the flow of a polar fluid, with pressure-dependent Newtonian viscosity, through a variable-porosity medium are developed. Averaged equations are obtained using intrinsic volume averaging. A drag function is introduced to…
The dynamic behavior of a partially wetting polymer droplet driven over a nanostructured interface is studied using molecular dynamics simulations. We consider the bead-spring model to represent a polymeric liquid that partially wets a…
Discrete simulation methods are efficient tools to investigate the complex behaviors of complex fluids made of either dry granular materials or dilute suspensions. By contrast, materials made of soft and/or concentrated units (emulsions,…
We have performed direct numerical simulation of turbulent open channel flow over a smooth horizontal wall in the presence of finite-size, heavy particles. The spherical particles have a diameter of approximately 7 wall units, a density of…