Atomistic Modeling of Bulk Alloys, Surfaces and Interfaces
A theory on atomistic modeling and a computer software package have been
developed at Glenn Research Center. These computational tools are geared
towards applications to structure and compositional analysis. This BFS
(Bozzolo-Ferrante-Smith) theory for alloys is a new semiempirical method
for calculating alloy energetics and has been implemented for a variety
of science problems, including atomic force microscopy modeling, surface
segregation, alloy surfaces, surface alloys and thin film growth. This
theory and its software package have also shown considerable promise in
assisting alloy development projects, particularly in the area of intermetallics.
The program joins the growing trend of using fast, efficient and economical
computer-based physical theories for aiding in the experimental development
of new materials and the determination of properties inaccessible to experiment.
Using this BFS modeling package has allowed the experimentalist to decrease
the number of syntheses. This program is part of the Physics and Process
Modeling program for obtaining more affordable aircraft.
The
BFS Chronological Bibliography
A
Surface Alloy Bibliography
The Tribology
& Surface Science Branch Home Page
NASA GRC Privacy
Policy
For more information contact:
Dr. Guillermo H.
Bozzolo , 216.433.5824
. . . Last updated June 12, 2001 -acz
. . . Last edited August 12, 2003 -pba