Properties of a continuous-random-network model for amorphous systems

Yuhai Tu, J. Tersoff, G. Grinstein, David Vanderbilt

Published 1998-07-14Version 1

We use a Monte Carlo bond-switching method to study systematically the thermodynamic properties of a "continuous random network" model, the canonical model for such amorphous systems as a-Si and a-SiO$_2$. Simulations show first-order "melting" into an amorphous state, and clear evidence for a glass transition in the supercooled liquid. The random-network model is also extended to study heterogeneous structures, such as the interface between amorphous and crystalline Si.