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

I. Shtablavyi; N. Popilovskyi; S. Mudry; O. Poplavskyi

doi:10.15330/pcss.23.2.416-423

Authors

I. Shtablavyi Ivan Franko National University of Lviv, Lviv, Ukraine
N. Popilovskyi Ivan Franko National University of Lviv, Lviv, Ukraine
S. Mudry Ivan Franko National University of Lviv, Lviv, Ukraine
O. Poplavskyi Vasyl Stefanyk Precarpathian National University, Ivano-Frankivsk, Ukraine

DOI:

https://doi.org/10.15330/pcss.23.2.416-423

Keywords:

metal alloys, atomic structure, coordination numbers, cluster structure

Abstract

The short-range order structure of the Zr_47,5Cu_47,5Al₅ 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.

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