Related papers: Nanoscale simulations of directional locking
We introduce a method for analyzing the physical properties of nanoparticles in fluids via the competition between viscous drag and optical forces. By flowing particles through a microfluidic device containing an optical microcavity which…
We investigate using molecular dynamics the effect of the structure of nanoconfinement for liquids with water-like anomalies and liquid-liquid phase transition (LLPT). We find that if the confinement is in an ordered matrix of nanoparticles…
We use a macromodel of a flow-driven deterministic lateral displacement (DLD) microfluidic system to investigate conditions leading to size-separation of suspended particles. This model system can be easily reconfigured to establish an…
The remaining dynamical degrees of freedom of molecular fluids confined into capillaries of nano to sub-nanometer diameter are of fundamental relevance for future developments in the field of nanofluidics. These properties cannot be simply…
Inspired by numerous lab on a chip, biomedical and bioengineering applications such as cell sorting, focusing, trapping, and filtering of particles, manipulation of micron sized particle trajectories has been of significant interest in the…
Diffusion of self-propelled particles in the presence of randomly distributed obstacles in three dimensions is studied using molecular dynamics simulations. It is found that depending on the magnitude of the propelling force and the…
We present a numerical study of the effect that fluid and particle inertia have on the motion of suspended spherical particles through a geometric constriction to understand analogous microfluidic settings, such as pinched flow…
To prevent the flocculation and phase separation of nanoparticles in solution, nanoparticles are often functionalized with short chain surfactants. Here we present fully-atomistic molecular dynamics simulations which characterize how these…
We investigate models in which blocking can interrupt a particulate flow process at any time. Filtration, and flow in micro/nano-channels and traffic flow are examples of such processes. We first consider concurrent flow models where…
Transport phenomena in complex and dynamic microscopic environments are fundamentally shaped by hydrodynamic interactions. In particular, microparticle transport in porous media is governed by the delicate interplay between…
The dynamics of particles interacting by key-lock binding of attached biomolecules are studied theoretically. Examples of such systems include DNA-functionalized colloids as well as nanoparticles grafted with antibodies to cell membrane…
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…
Controlling the motion of nano and microscale objects in a fluid environment is a key factor in designing optimized tiny machines that perform mechanical tasks such as transport of drugs or genetic material in cells, fluid mixing to…
Polymer solutions subject to pressure driven flow and in nanoscale slit pores are systematically investigated using the dissipative particle dynamics approach. We investigated the effect of molecular weight, polymer concentration and flow…
Non-equilibrium molecular dynamics (NEMD) simulations of fluid flow have highlighted the peculiarities of nanoscale flows compared to classical fluid mechanics; in particular, boundary conditions can deviate from the no-slip behavior at…
Nanoporous capsules have been the subject of intense investigation in the field of drug delivery. One of the essential properties of such particles, which requires characterization, is their structure. Many experimental techniques have been…
Self-propelled nanoparticles moving through liquids offer the possibility of creating advanced applications where such nanoswimmers can operate as artificial molecular-sized motors. Achieving control over the motion of nanoswimmers is a…
The transport of an infinitely thin, hard rod in a random, dense array of point obstacles is investigated by molecular dynamics simulations. Our model mimics the sterically hindered dynamics in dense needle liquids. The center-of-mass…
Molecular dynamics studies of nono-sized rigid grains, droplets and bubbles in nano-sized pores indicate that the drag force may have a hydrodynamic form if the moving object is dense and small compared to the pore diameter. Otherwise, the…
Molecular dynamics simulations are used to examine hysteretic effects and distinctions between equilibrium and non-equilibrium aspects of particle adsorption on the walls of nano-sized fluidfilled channels. The force on the particle and the…