Principal Result: The computational nanotechnology project has successfully
modeled and simulated components of nano-machines and aspects of fundamental
chemical physics at the nanometer scale. Projects include:
dynamics of nano-structured materials
nano-tribology, nano-fluid dynamics
control of nanometer sized objects
interaction of nano-objects
quantum mechanics of nano-objects
a computational nanotechnology toolbox
Scientific Significance: The basic research performed by the computational
nanotechnology project has set the stage for future R&D in an emerging technology.
This effort has provided computational tools that enable researchers to efficiently
perform simulations of a variety of molecular-based material structures in
order to determine/predict their performance under various operating conditions.
In addition, the research in the area of nano-fluidics provides the foundation
for follow-on developments in areas such as the laboratories-on-a-chip concept
(sensors), automation of sectioning for multiple genes (molecular biology),
and ultra-precise actuators (robotics).
Implication for Future Directions in Scientific Research: Computational
nanotechnology will continue to both aid in determining the limits of what
is achievable in the short-term and extending concepts toward future long-term
goals. Basic science research has the capability of providing the interdisciplinary
focus needed to consolidate this exciting and revolutionary emerging technology.
