Abstract
A molecular dynamics simulation study has been carried out to investigate nanocrystal formation of liquid Ti3Al alloy during rapid solidification and deformation behavior of the nanocrystalline Ti3Al alloy under tensile loading. The deformation mechanism of the nanocrystalline Ti3Al alloy during the tensile deformation processes has been discovered through the investigations of microstructural evolutions. The results emerging from the present analyses indicate that liquid Ti3Al alloy fully crystallizes at cooling rate of 1011K/s, and coherent twin boundaries are found in the nanocrystalline Ti3Al alloy during the rapid solidification. Moreover, as the crack source in the nanocrystalline Ti3Al alloy, the coherent twin boundary perpendicular to the stress direction induces and extends the crack during the plastic deformation process. These findings provide deeper insights into understanding the nanocrystal formation of liquid Ti3Al alloy and tensile deformation mechanism in the nanocrystalline Ti3Al alloy at nano-scale.
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