Molecular Dynamics Study of Triplet Correlations in a Rapidly Quenched Metal. II. Distribution of Isosceles Triplets

Abstract

The isosceles triplet distribution functions g (3) ( s , r , r ) and g (3) ( s , s , r ) with s fixed at values corresponding to the peaks of the pair distribution function are calculated in the rapidly quenched states of a simple liquid metal simulated by the molecular dynamics method. At lower temperatures these functions show characteristic features of the short-range order in amorphous states, i.e. an icosahedral packing of the first-shell and a dual structure of the second-shell around an arbitrary atom. The distribution of near-bond angles and that of other particles on the bisecting plane of near-bonds in the final amorphous state are compared with f.c.c. and b.c.c. microcrystalline models, and it is shown that the cuboctahedral configuration is suppressed very much in the amorphous state.