MODELING OF NANOSTRUCTURE PATTERNING

Computational nanotechnology is an emerging field of research aimed at developing nanoscale modeling and simulation methods to enable and accelerate the design and development of functional nanometer-scale devices and systems. A major challenge in nanodevice technology is how to fabricate patterned nanostructures with precise size and position control, and a predictive computational modeling can guide and accelerate experimental development in nanostructure patterning. Even though accurate quantum and atomistic simulation methods are available, they are limited to very small systems (thousand to billion atoms) and very short simulation time (nano to micro seconds). A promising approach is to develop multiscale modeling methods using continuum and atomistic simulation methods to investigate the nanostructure patterning processes during epitaxial growth on solid surfaces. A detailed atomistic understanding on the role of surface stress field, temperature, growth rate, and surfactants will facilitate the optimal design of patterned nanostructures. For this purpose, we use continuum theories to model the length scales determined by competing mechanisms of epitaxy, surface stress, surface energy, and strain energy. We apply kinetic Monte Carlo and quantum simulations to simulate nanoscale self-organization processes for creating controlled nanostructures on strained surfaces. In this talk, we will discuss about our multiscale modeling investigation on patterned growth of nanoparticles guided by surface strain modulation and its application to magnetic nanostructure patterning.

Collaborators: Bruce Clemens and Bill Nix (Stanford University)
Support: NSF-EEC-0085569