Evolution of icosahedral clusters during the rapid solidification of liquid TiAl alloy

The evolution characteristics of icosahedral clusters during the rapid solidification of TiAl alloy under different cooling rates are investigated based on molecular dynamics simulations. The short-range order structural properties of liquid and amorphous TiAl alloy are analyzed by several structural characterization methods. It is found that the cooling rate plays a key role during the evolution of icosahedral clusters and has significant effect on the glass transition temperature. Simultaneously, the medium-range order structural evolutions are described in detail by quantitative method and visualization technology during the rapid solidification. The results reveal that the medium-range order icosahedral clusters have good structural stability and configural continuity during the rapid cooling process. Furthermore, the icosahedral structures have significant improvements with decreasing cooling rate. The structures block the crystal nucleation and improve the glass forming ability of supercooled liquid.