Empirical tight-binding model potentials were used in molecular dynamics simulations of local order and defects in liquid and glass under high and normal pressures. Results were reported for solid-like clusters and for the structural properties of liquids and glasses. Not only were Frank-Kasper polyhedra and Bernal hole polyhedra detected, but also a variety of defective icosahedra. A marked split in the second peak of g(r) was associated with the glass transition. The split in the second peak was caused by fluidity of the liquid phase in

glass. The nearest distance was shortened, and the nearest-neighbor coordination number increased, under high pressures. High pressures favored glass formation. The microstructure of the glass was very similar to a medium-range order icosahedral structure.

Molecular Dynamics Study of the Local Order and Defects in Quenched States. H.Li, X.Bian, G.Wang: Physical Review B, 2003, 67[9], 094202 (7pp)