The structure of the Zr-Cu-Al melts in the glass forming range of concentrations.

Abstract

The short-range order structure of the Zr47,5Cu47,5Al5 and Zr40Cu40Al20 melts was investigated by the method of molecular dynamics simulations. Based on the obtained results, partial pair correlation functions and distributions of partial coordination numbers have been calculated. The main structure parameters determined from these functions were compared with similar parameters for amorphous alloys. According to the results of research, the presence of both homocoordinated and heterocoordinated clusters in the melts, which form a cluster solution, was established. The assumption of the presence of heterocoordinated icosahedral clusters is made.

Keywords

• metal alloys
• atomic structure
• coordination numbers
• cluster structure