The objective of the work was to carry out simulation studies on the 5 component Vitreloy-1 metallic glass. This was to include the characterization of interaction potentials and the running of preliminary simulation calculations. One specific goal was to compare the outcomes of these calculations with the prediction of a crystal-based structural approximation to the amorphous state recently proposed by Miracle. To this end, a computational characterization of the Miracle ...
This brief report covers studies of the stability of a well-characterized model of a metal-metalloid glassy alloy (A3B) in contact with a planar surface of a stable congruent crystal (i.e., crystal with the same composition as the glass) through computer simulations based on a NPT symplectic algorithm based on Nose-Hoover constraints developed recently by Laird.