Related papers: Nanoscale simulations of directional locking
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…
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…
Successful assembly of suspended nanoscale rod-like particles depends on fundamental phenomena controlling rotational and translational diffusion. Despite the significant developments in fluidic fabrication of nanostructured materials, the…
The behavior of particles driven through a narrow constriction is investigated in experiment and simulation. The system of particles adapts to the confining potentials and the interaction energies by a self-consistent arrangement of the…
Nanodroplets on chemically structured substrates move under the action of disjoining pressure induced forces. A detailed analysis of them shows that even in the absence of long-ranged lateral variations of the effective interface potential,…
Using molecular dynamics simulations, we show that free diffusion of a nanoscale particle (molecule) with asymmetric structure critically depends on the orientation in a finite timescale of picoseconds to nanoseconds. In a timescale of ~100…
Inertial lift forces are exploited within inertial microfluidic devices to position, segregate, and sort particles or droplets. However the forces and their focusing positions can currently only be predicted by numerical simulations, making…
Confinement influences fluid properties. We show, employing molecular dynamics simulations with explicit solvents, that slit confinement drives a first-order transition for a small nanoparticle between staying at the slit center and binding…
Particle suspensions in confined geometries can become clogged, which can have a catastrophic effect on function in biological and industrial systems. Here, we investigate the macroscopic dynamics of suspensions in constricted geometries.…
Being motivated by recent progress in nanopore sensing, we develop a theory of the effect of large analytes, or blockers, trapped within the nanopore confines, on diffusion flow of small solutes. The focus is on the nanopore diffusion…
This sequence of fluid dynamics videos illustrates the behavior of a suspension of noncolloidal particles flowing past various bluff body obstacles within a microfluidic device. The polystyrene particles, of 7 {\mu}m diameter and volume…
In this paper, we developed a mathematical model for the sedimentation process of small particles in a lid-driven cavity flow with an obstacle to model the transport of microplastic particles in rivers. A stationary incompressible…
In recent years, manipulation of particles by inertial microfluidics has attracted significant attention. Most studies focused on inertial focusing of particles suspended within liquid phase, in which the ratio of the density of the…
We study the drift of suspended micro-particles in a viscous liquid pumped back and forth through a periodic lattice of pores (drift ratchet). In order to explain the particle drift observed in such an experiment, we present an…
Modeling dispersed solid phases in fluids still represents a computational challenge when considering a small-scale coupling in wide systems, such as the atmosphere or industrial processes at high Reynolds numbers. A numerical method is…
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,…
Systematic deflection of microparticles off of initial streamlines is a fundamental task in microfluidics, aiming at applications including sorting, accumulation, or capture of the transported particles. In a large class of setups,…
We use interface-resolved simulations to study finite-size effects in turbulent channel flow of neutrally-buoyant spheres. Two cases with particle sizes differing by a factor of 2, at the same solid volume fraction of 20% and bulk Reynolds…
Molecular dynamics simulations are used to model the thermal properties of a fluid containing solid nanoparticles (nanofluid). The flexibility of molecular simulation allows us to consider the effects of particle mass, particle-particle and…
Turbulent plane-Couette flow suspended with finite-size spheroidal particles is studied using fully particle-resolved direct numerical simulations. The effects of particle aspect ratio on turbulent arguments and particle statistics are…