Related papers: An Efficient Moment Method for Modelling Nanoporou…
Metal-polymer nanocomposites have been investigated extensively during the last years due to their interesting functional applications. They are often produced by vapor phase deposition which generally leads to the self-organized formation…
Fluids confined in nanopores exhibit properties different from the properties of the same fluids in bulk, among these properties are the isothermal compressibility or elastic modulus. The modulus of a fluid in nanopores can be extracted…
On one hand, classical Monte Carlo and molecular dynamics (MD) simulations have been very useful in the study of liquids in nanotubes, enabling a wide variety of properties to be calculated in intuitive agreement with experiments. On the…
Particle methods are less computationally efficient than grid based numerical solution of the Navier Stokes equation. However, they have important advantages including rigorous mass conservation, momentum conservation and isotropy. In…
An extension of the multi-level hp Finite Cell Method is proposed for the simulation of thermoviscoplastic problems with temperature-dependent material behavior. The approach combines hierarchical adaptive refinement with a non-negative…
Modulating ion transport through nanoporous membranes is critical to many important chemical and biological separation processes. The corresponding transport timescales, however, are often too long to capture accurately using conventional…
We present a numerical method for interface-resolved simulations of evaporating two-fluid flows based on the volume-of-fluid (VoF) method. The method has been implemented in an efficient FFT-based two-fluid Navier-Stokes solver, using an…
Simulations of wetting phenomena by a meshfree particle method are presented. The incompressible Navier-Stokes equations are used to model the two-phase flow. The continuous surface force model is used to incorporate the surface tension…
We develop a semi-implicit algorithm for time-accurate simulation of the compressible Navier-Stokes equations, with special reference to wall-bounded flows. The method is based on linearization of the partial convective fluxes associated…
We introduce a coupled Cahn-Hilliard Navier-Stokes model that governs the two-phase dynamics of a system that consists of a fluid and a solid phase and prove its thermodynamic consistency. Moreover, we present an associated fully-discrete…
Long liquid retention times in industrial gaps, due to capillary effects, significantly affect product lifetime by facilitating corrosion on solid surfaces. Concentration-driven evaporation plays a major role in mitigating this corrosion.…
We propose an approach that links density functional theory (DFT) and molecular dynamics (MD) simulation to study fluid behavior in nanopores in contact with bulk (macropores). It consists of two principal steps. First, the theoretical…
This paper reports large-scale direct numerical simulations of homogeneous-isotropic fluid turbulence, achieving sustained performance of 1.08 petaflop/s on gpu hardware using single precision. The simulations use a vortex particle method…
Scaling up new scientific technologies from laboratory to industry often involves demonstrating performance on a larger scale. Computer simulations can accelerate design and predictions in the deployment process, though traditional…
Tracking the evolution of an individual nanodroplet of liquid in real-time remains an outstanding challenge. Here a miniature optomechanical resonator detects a single nanodroplet landing on a surface and measures its subsequent evaporation…
The Navier-Stokes-Fourier system is a well established model for describing the motion of viscous compressible heat-conducting fluids. We study the existence of time-periodic weak solutions and improve the known result in the following…
Maximum-entropy moment methods allow for the modelling of gases from the continuum regime to strongly rarefied conditions. The development of approximated solutions to the entropy maximization problem has made these methods computationally…
In this paper, we present a computationally efficient method for including fluid-solid interactions into direct numerical simulations of the Navier-Stokes equations. This method is found to be as powerful as our earlier formulation [J.…
We introduce a novel artificial compressibility technique to approximate the incompressible Navier-Stokes equations with variable fluid properties such as density and dynamical viscosity. The proposed scheme used the couple pressure and…
Large-scale molecular dynamics simulations are used to simulate a layer of nanoparticles diffusing on the surface of a liquid. Both a low viscosity liquid, represented by Lennard-Jones monomers, and a high viscosity liquid, represented by…