Effects of cooling rate on the atomic structure and glass formation process of $Co_{90}Zr_{10}$

Özet

In this study, the atomic structure and the glass formation process of Co90 Zr10 metallic glass alloy werestudied by molecular dynamic simulation based on the embedded atom method using four different cooling rates. Theaverage atomic volume and the potential energy of the system were observed to be strongly dependent on the coolingrate during rapid solidification, and the glass transition temperature decreased with decreasing cooling rate. The radialdistribution functions and the structure factors derived from molecular dynamics simulations at 300 K agreed well withthe experimental and other molecular dynamics results. The coordination numbers calculated at 300 K were consistentwith the experimental results in the literature. The local structural atomic orders of the system have been characterizedby Honeycutt–Andersen indices and the Voronoi tessellation method. We realized that the FCC and icosahedral shortrangeorder increases with decreasing cooling rate, the icosahedral clusters are predominant in the Co90 Zr10 metallicglass, and the fraction of the icosahedral polyhedra increases with decreasing cooling rate and temperature. We haveseen that Co-centered Voronoi polyhedrals such as ⟨ 0,2,8,2⟩ , ⟨ 0,0,12,0⟩ , and ⟨ 0,1,10,2⟩ play a dominant role in thedevelopment of the icosahedral order of the Co90 Zr10 alloy.