W0128
Computer
Simulation Studies of Polyamorphism
.
Peter H. Poole, Department of Applied Mathematics, University of Western
Ontario, London, Ontario, N6A 5B7, Canada
We
review recent computer simulation studies in which polyamorphism has been
explicitly observed. Defined simply as the observation of multiple but
distinct amorphous solid forms of the same substance, polyamorphism has been
found most prominently in simulations of amorphous solid silicon, silica, and
water. The most dramatic form of polyamorphism, in which an equilibrium
first-order liquid-liquid phase separation occurs above the glass transition
temperature has also been found in simulations of silicon and water models.
The thermodynamic and structural indicators of polyamorphism are thereby
revealed in detail in such simulation studies. We will also point out
correlations between the properties of polyamorphic glasses and the crystal
polymorphs found for the same materials.