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Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…
The nucleation of crystals in liquids is one of nature's most ubiquitous phenomena, playing an important role in areas such as climate change and the production of drugs. As the early stages of nucleation involve exceedingly small time and…
The filtration of fluid in 2D porous medium is simulated by the molecular dynamics technique. The high concentration of fluid is created at the initial point in time and the number of fluid particles is investigated in all porous. The…
Liquids flow, making them remarkably distinct from solids and close to gases. At the same time, interactions in liquids are strong as in solids. The combination of these two properties is believed to be the ultimate obstacle to constructing…
The phase behaviour and dynamics of molecular ionic liquids are studied using primitive models and extensive computer simulations. The models account for size disparity between cation and anion, charge location on the cation, and…
Novel technological applications often involve fluid flows in the Knudsen regime in which the mean free path is comparable to the system size. We use molecular dynamics simulations to study the transition between the dilute gas and the…
Emergent phenomena share the fascinating property of not being obvious consequences of the design of the system in which they appear. This characteristic is no less relevant when attempting to simulate such phenomena, given that the outcome…
The formation of small droplets and bubbles in turbulent flows is a crucial process in geophysics and engineering, whose underlying physical mechanism remains a puzzle. In this letter, we address this problem by means of high-resolution…
In conventional fluid mechanics, the chemical composition and thermodynamic state of a fluid-solid interface are not considered when establishing velocity-field boundary conditions. As a consequence, fluid simulations are usually not able…
Over the past decade the study of fluidic droplets bouncing and skipping (or ``walking'') on a vibrating fluid bath has gone from an interesting experiment to a vibrant research field. The field exhibits challenging fluids problems,…
Cavitation in tubes is a common occurrence in nature and engineering applications. Previous studies of cavitation bubble dynamics mainly consider bubbles in stagnant-water tubes, but the dynamics of cavitation bubbles in tubes with flow is…
Using molecular dynamics simulations, we study supercritical fluids near the gas-liquid critical point under heat flow in two dimensions. We calculate the steady-state temperature and density profiles. The resultant thermal conductivity…
Cavitation is a general phenomenon of the fluid flows with obstacles. It appears in the cooling conduits of the fast nuclear engines. A model of this phenomenon using the theory of Laplace and a common non-convex energy for the liquid and…
We have studied the breakup and subsequent fluid flow in very thin films of partially wetting liquid on solid substrates, using molecular dynamics simulations. The liquid is made of short chain molecules interacting with Lennard-Jones…
Biological cells use droplets to separate components and spatially control their interior. Experiments demonstrate that the complex, crowded cellular environment affects the droplet arrangement and their sizes. To understand this behavior,…
We use molecular dynamics simulations to study the evaporation of particle-laden droplets on a heated surface. The droplets are composed of a Lennard-Jones fluid containing rigid particles which are spherical sections of an atomic lattice,…
Thermal convection is observed in molecular dynamic simulation of a fluidized granular system of nearly elastic hard disks moving under gravity, inside a rectangular box. Boundaries introduce no shearing or time dependence, but the energy…
We study compressible fluid flow in narrow two-dimensional channels using a novel molecular dynamics simulation method. In the simulation area, an upstream source is maintained at constant density and temperature while a downstream…
Liquid-liquid phase separation has recently emerged as an important topic in the context of cellular organization. Within this context, there are multiple poorly understood features; for instance hints of critical behavior in the plasma…
Placing an atom and a molecule in a cavity opens the door to initialize molecular dynamics by exciting a level of the atom. This approach enlarges the range of choosing the light source to trigger molecular dynamics substantially. The…