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
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.
Key words: Solid State and Materials
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2016