Related papers: Self-Siphon Simulation Using Molecular Dynamics Me…
In this work, we used a coupled level set and volume of fluid (CLSVOF) computational method for studying the generation of microdroplets in a two dimensional circular co-flow microfluidic device. The fundamental understanding of shear…
We present a new scheme to couple existing numerical methods for elastic self-interacting dark matter (SIDM) to the hydrodynamic equations via a continuous function of the local Knudsen number. The method, an SIDM-hydro hybrid (SHH), allows…
Engineering synthetic materials that mimic the remarkable complexity of living organisms is a fundamental challenge in science and technology. We study the spatiotemporal patterns that emerge when an active nematicfilm of microtubules and…
A self-regulating magnetic flux pumping mechanism in tokamaks that maintains the core safety factor at $q\approx 1$, thus preventing sawteeth, is analyzed in nonlinear 3D magnetohydrodynamic simulations using the M3D-C$^1$ code. In these…
In this work we study the dynamic behaviour of compound shells of revolution partially filled with an ideal incompressible fluid based on boundary-value problems. New analytical mathematical model with corresponding discrete scheme for the…
Droplet deposition onto a hydrophobic surface is studied experimentally and numerically. A wide range of droplet sizes can result from the same syringe, depending strongly on the needle retraction speed. Three regimes are identified…
We use molecular dynamics simulations to study the behavior of a compressible Lennard-Jones fluid in simple shear flow in a two-dimensional nanochannel. The system is equilibrated in the fluid phase close to the triple point at which gas,…
Many applications of computational fluid dynamics require multiple simulations of a flow under different input conditions. In this paper, a numerical algorithm is developed to efficiently determine a set of such simulations in which the…
Although molecular dynamics (MD) simulations are commonly used to predict the structure and properties of glasses, they are intrinsically limited to short time scales, necessitating the use of fast cooling rates. It is therefore challenging…
We investigate the behavior of the slip length in Newtonian liquids subject to planar shear bounded by substrates with mixed boundary conditions. The upper wall, consisting of a homogenous surface of finite or vanishing slip, moves at a…
It is now established that nuclear quantum motion plays an important role in determining water's hydrogen bonding, structure, and dynamics. Such effects are important to include in density functional theory (DFT) based molecular dynamics…
Understanding what happens inside the rippling and dancing surface of a liquid remains one of the great challenges of fluid dynamics. Using molecular dynamics (MD) we can pick apart the interface structure and understand surface tension. In…
We present an investigation of transpiration of water in a 100 m tall tree using continuum simulations. Disjoining pressure is found to induce absolute negative pressures as high as -23.5 atm at the liquid-vapor meniscus during evaporation,…
Dissipative Particle Dynamics (DPD) is becoming a popular particle based method to study flow through microchannels due to the ease with which the presence of biological cells or DNA chains can be modeled. Many Lab-On-Chip (LOC) devices…
We simulate the mesoscopic dynamics of droplets formed by phase separated fluids at nanometer scales where thermal fluctuations are significant. Both spherical droplets fully immersed in a second fluid and sessile droplets which are also in…
Simulations of SiC crystal growth using molecular dynamics (MD) have become popular in recent years. They, however, simulate very fast deposition rates, to reduce computational costs. Therefore, they are more akin to surface sputtering,…
Molecular dynamics simulations are an important tool for describing the evolution of a chemical system with time. However, these simulations are inherently held back either by the prohibitive cost of accurate electronic structure theory…
Using molecular dynamics simulations, we show that an asymmetrically shaped nanoparticle in dilute solution possesses a spontaneously curved trajectory within finite time interval, instead of the generally expected random walk. This…
The stratified inclined duct (SID) experiment consists of a zero-net-volume exchange flow in a long tilted rectangular duct, which allows the study of realistic stratified shear flows with sustained internal forcing. We present the first…
A new approach to simulating warm and hot dense matter that combines density functional theory based calculations of the electronic structure to classical molecular dynamics simulations with pair interaction potentials is presented. The new…