Visualisation of Grain Boundary Structures in Intermetallics
Group: Materials Science and Engineering
School: Virginia Tech.
The increased demands on aircraft and aerospace sysstem performance
has led to the need for the development of new and improved structural
materials, which will be stronger, lighter and stiffer and be able to
maintain these properties at elevated temperatures and in hostile
environments. For these reasons the B2 intermetallic compounds; CoAl,
NiAl, and FeAl are being investigated. Their practical applicability
is however hindered by brittle intergranular failure and poor cleavage
structure. This hinderance is the focus of this study; which is to
study a multiplicity of geometric grain boundary structures through
atomistic computer simulation, in the hopes of better understanding
The crystal structure of these compounds is B2. This is a body centered
ordered structure, where Al occupies the body center and the
transition metal, the corner site. A movie, showing in 3-D the B2 crystal structure,
was generated to give a better "feel" for the structure.
These structures were generated using the Embedded Atom Method. The
details of the 2-D (static)
of different structures.
A multimedia module was created to show students the creation of
geometric grain boundary structures and the visualisation of computer
simulated grain boundaries. This was accomplished in a presantation
using Micromedia:Director. This module is available from either the Multimedia Lab or the Scientific Visualisation