Structural evolution and energy landscape of the clusters in Zr55Cu35Al10 metallic liquid and glass

Based on pair distribution function studies, a structural parameter, derived from the number of cluster connecting bonds and the coordination number, and energy analysis have been introduced to describe different kinds of local clusters in the liquids and glasses. By applying these analyses to a widely studied Zr–Cu–Al base alloy system, we found that Zr-, Cu- and Al-centered first shell clusters showed different structural evolution and energy distributions during cooling. In terms of their structure and energy states, it is confirmed that the Al-centered first shell clusters play dominant role in the appearance of glass transition prior to the crystallization. (a) The energy distributions of the Al-, Cu- and Zr-centered first shell clusters at 1300K and 300K. (b) The variation of the effective radii of the Zr-, Cu- and Al first shell clusters as a function of temperature during the cooling process. [Display omitted]