STRUCTURAL DIFFUSION-MODEL CALCULATIONS OF THE PAIR DISTRIBUTION FUNCTION AND STRUCTURE FACTOR OF BCC-LIKE AMORPHOUS SYSTEMS

The Structural Diffusion Model (SDM) has been used to calculate the pair distribution, function, g(r), and the structure factor, S(k), of three amorphous systems whose parent crystallographic structure is bcc, namely Na, Rb and Cr. With the choice of local lattice structure made in this work, the agreement between the calculated and the simulated g(r) (Na, Rb) and experimental S(k) (Cr) are reasonably good. It is very interesting to point out that the distorted bcc lattice, chosen for these calculations, is the same as the distorted fcc lattice used in previous work for SDM calculations of amorphous systems whose parent crystallographic structure is fcc. © 1990.