General Method for Modeling of Nanoparticle Dynamics far from Equilibrium Paul F' Nealy, University

1
General Method for Modeling of Nanoparticle
Dynamics far from EquilibriumPaul F. Nealy,
University of Wisconsin-Madison, NSEC, DMR
0425880Juan P. Hernandez, Juan J. de Pablo, and
M. Graham

• One of nanotechnologys central aims is to
  conceive an implement complex processes at
  the nanoscale. Distinct components of a nanoscale
  device must be positioned and assembled with
  nanometer precision, reproducibly, and, if
  possible, in a high throughput manner. To that
  end, researchers have explored the use of
  external fields, e.g. the use of flow or voltage
  to move nanoscale objects around. Much of this
  work has been largely empirical predictions of
  the way in which flow fields and electrical
  fields influence the motion of nanoscale objects
  have been hampered by a lack of fast and
  efficient numerical algorithms capable of
  computing the effects of hydrodynamic
  interactions. Recently, UW NSEC researchers have
  developed a fast and robust algorithm for
  computation of long-range interactions, including
  electrostatic and hydrodynamic, in arbitrary
  geometries. In a recent publication in Physical
  Review Letters, 98, 140602, 2007, NSEC
  postdoctoral student Juan Pablo Hernandez
  introduced the so-called General Geometry
  Ewald-like Method (GGEM), which, for the first
  time, has permitted study of concentrated
  solutions of DNA far from equilibrium and under
  extreme confinement, study of the driven assembly
  of b-peptide nanorods, and simulations of charged
  dipolar particles. The GGEM algorithm will
  facilitate considerably the rational design of
  complex nanofluidic devices by permitting fast,
  detailed predictive simulations of dilute and
  concentrated suspensions of nanoscale objects,
  both at equilibrium and far from equilibrium.

Schematic representation of the traces left
behind as a collection of DNA molecules flow
through a small constriction, under the influence
of pressure,  Brownian forces,  and hydrodynamic
interactions.
Juan P. Hernandez, Juan J. de Pablo, and M.
Graham, Physical Review Letters, 98, 140602, 2007