Correlation between local structure of melts and glass forming ability for [Fe.sub.78][M.sub.9][B.sub.13] (M=Nb, Si, and Zr) alloys

Ab initio molecular dynamics simulation is used for studying the structures of [Fe.sub.78][M.sub.9][B.sub.13] (M=Nb, Si, and Zr) melts. The structural and dynamical properties of these melts have changed with different M elements and the degree of complexity of molten structure caused by the interactions among Fe, M and B has played a vital role in their glass forming ability.