Preparation of bulk metallic glasses by modifying local structure of icosahedral quasicrystals

An attempt is carried out to design metallic glasses by modifying the local structure of icosahedral quasicrystals. A series of metallic glasses are prepared by introducing beryllium to the quasicrystal former, Zr40Ti40Ni20, and the maximum diameter of the glasses reaches 20 mm. A phase transformation diagram is constructed for the alloys of (Zr40Ti40Ni20)100-xBex, revealing the transition from stable crystal to quasicrystal and then to metallic glasses with the increased Be content. This study shows a connection between the formation of metallic glasses and the specific thermodynamics of the initially precipitated quasicrystals. Interestingly, both improvements in the forming ability for glasses and quasicrystals are observed over a wide composition range. Ab initio molecular dynamic simulations show the evolution of the structural features of the metallic melts for the optimised glass forming region, which guarantee the primary precipitation of quasicrystal.