Molecular dynamics simulation for solidification process of Ni-Al alloys

The solidification processes of Ni3Al and NiAl alloys were studied by molecular dynamics simulation with different cooling rates.The pair correction function at different temperatures,energy and volume changes in the process were analyzed.The results show that with a high cooling rate of 4×1013 K/s,the amorphous structure forms in the Ni3Al alloy;with a lower rate of 4×1011 K/s,the micro structure of the Ni3Al alloy starts to change at about 1 100 K and the crystal structure forms finally.With the cooling rate of 4×1013 K/s,the NiAl alloy is amorphous,while with the cooling rate of 4×1011 K/s,a certain part of crystal structure forms in the NiAl alloy at 810 K.