Structrue simulation of transition‐metal‐metalloid glasses. III

Computer simulated structural models of transition metal (TM)-metalloid (M) glass systems are generated which consist of dense random packings of hard spheres whose radii are chosen to correspond to the elements included in the alloy. The models, as constructed by the “global” scheme of Bennett, are found to be unacceptable. They exhibit strong angular anisotropies in the pair correlations in regions away from the center of the cluster and predict, for sufficiently different TM and M atomic sizes, physically unreasonable M to TM coordination numbers. It is evident now that pair correlation anisotropies are reasonsible for the shortcomings of earlier single size sphere models.1,4 Acceptable TM-M models will require either an energetic relaxation of the present models or genesis of a new stacking algorithm.