Brownian dynamics – TechConnect Briefs

Separation Mechanisms for Nanoscale Spheres and Rods in Field-Flow Fractionation (FFF)

A Brownian dynamics simulation for modeling the separation of spheres and rodlike particles in field-flow fractionation (FFF) is developed. Modeling of particle elution for spheres from (10 to 1000) nm was examined. The simulation captures [...]

Morphology of Nanostructured Films Synthesized via Electrodeposition

Magan R.V., Sureshkumar R., Washington University, US

In this study we perform Brownian dynamics simulations to investigate the influence of surface reaction rate on the development of size dispersion of interfacial nanostructures that form by electrodeposition of non-interacting ions (particles) onto surfaces [...]

An Efficient Multiscale-Linking Algorithm for Particle Deposition

Magan R.V., Sureshkumar R., Washington University, US

A multiscale-linking computer simulation of irreversible deposition of particles is developed by integrating mesoscopic Brownian dynamics simulations with continuum level conservation laws. The algorithm accounts for the flux of the particles from the bulk suspension [...]

Toward an Integrated Computational Environment for Multiscale Computational Design of Nanoscale Ion Channel Semiconductors

Natarajan S., Varma S., Tang Y., Parker S., Mashl J., Jakobsson E., NCSA, US

This paper describes the design and operation of an integrated multiscale computational environment for design of nanoscale ion channel semiconductors, the Ion Channel Workbench. The present work builds on an earlier multiscale calculation from our [...]

Brownian Dynamics Simulation of Transport Properties in Potassium Ion Channels

Aboud S., Marreiro D., Saraniti M., Eisenberg R.S., IIT/Rush University, US

In this work, a Brownian dynamics simulator based on the self-consistent coupling of the Langevin equation with a field solver, is used to model the ionic transport. Within this approach, the molecular structure of both [...]

Self-Consistent Particle-Based Simulations of Three-Dimensional Ionic Solutions

Wigger-Aboud S., Saraniti M., Eisenberg R.S., Rush University and IIT, US

Ion channels are an important class of proteins responsible for controlling the ion flux into and out of cells, and are interesting in the electronics community for their possible application for new classes of electronics [...]

Modeling Nanosized Colloidal Particle Interactions with Brownian Dynamics Using Discrete Element Method

Li J-F, Yu W-H, Chen C-S, J. Wei W-C, National Taiwan University, TW

Discrete element method (DEM) has been developed in an integrated software system to study ceramic particle suspension and colloidal forming process recently [1, 2, 3]. Particle interactions such as van der Waals attraction, electrical double-layer [...]

Keywords: Brownian dynamics