Final Report

As an ongoing project, the original proposal of implementing BFS (Bozzolo-Ferrante-Smith methods) to the process of alloy design was satisfied beyond the original expectations, as the project evolved from the original goal of backing the experimental results with theoretical and computational evidence, to the point where theoretical predictions lead the way for further experimental studies. For the first time, computer simulations were used to predict the phase stability of many component systems (four and five elements), which are currently being developed and analyzed experimentally. Similar progress was made in the area of surface structure analysis via computer simulations.