Eur. Phys. J. B (2016) 89: 65
https://doi.org/10.1140/epjb/e2016-60694-5

Regular Article

Molecular dynamics study of structure and glass forming ability of Zr₇₀Pd₃₀ alloy

¹ University of Trakya, Faculty of Education, 22050 Edirne, Turkey
² University of Trakya, Faculty of Science, Department of Physics, 22030 Edirne, Turkey
³ University of Trakya, Edirne Vocational College of Technical Science, 22020 Edirne, Turkey

^a e-mail: mceltek@trakya.edu.tr

Received: 25 August 2015
Received in final form: 17 November 2015
Published online: 7 March 2016

Abstract

In this study, the temperature effects on the structural evolution of the Zr₇₀Pd₃₀ binary alloy in the glassy and liquid states were studied using the molecular dynamics simulations based on the many-body type tight-binding potential. We considered the following properties in detail: the temperature dependence of the volume, the partial and total pair distribution functions and the simulated glass transition temperature. The effects of the cooling rates on the glass transition temperature were examined. The Wendt-Abraham parameter was calculated to determine the glass transition temperature of Zr₇₀Pd₃₀ glassy alloy. The pair analysis technique of Honeycutt-Andersen was applied to define local atomic arrangements produced from molecular dynamics simulations. The results show that the icosahedral ordering in glassy state has been composed during quenching period, and the simulated glass transition temperature and the total pair distribution functions are in good agreement with the experimental data.