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REU

May 1, 2006

FRONTIERS IN MATERIALS SCIENCE
VINSE COLLOQUIUM SERIES

Dr. Kristen A. Fichthorn
Merrell R. Fenske Professor
The Pennsylvania State University
Department of Chemical Engineering
University Park, Pennsylvania
"Atomic-Scale Simulations in the Nanoscience of Interfaces"

Abstract. With increasing capacity for computation in recent years, along with algorithmic advances, molecular-level simulations can allow for discoveries in nanoscience that yield predictive power for nanotechnology.  In this talk, I will highlight two such examples from our recent work.  In one project, we are using molecular-dynamics and Monte-Carlo simulations to understand the forces and assembly of colloidal nanoparticles.  I will illustrate the complex dependence of nanoparticle solvation forces on particle size and shape and their role in determining the stability and assembly of nanoparticle suspensions.  I will also discuss our work aimed at coarse-grained modeling of assembly in colloidal nanowire suspensions.  In a second project, an ongoing effort in our research has been to develop algorithms for multi-scale modeling of thin-film epitaxy.  I will highlight our recent work on accelerated molecular-dynamics simulations and their application to understanding the growth of Co on Cu surfaces.

 
 
Vanderbilt University