The Comparison of the Solidification of Liquid Al3Ni and Ni3Al

By means of the molecular dynamics simulation technique, the solidification process of liquid alloyAl3Ni and Ni3Al has been performed. The F-SN-body potentials have been adopted to describe the atomic interactions. The structural features have been revealed with the pair distribution function and bonded pairs analysis method. The variation of energy with the temperature and the relationship between the energy and the micro structure have also been studied. It has been concluded that the cooling rates have different influence on the final structure of Al3Ni and Ni3Al. The Al3Ni becomes the glass state at both of the cooling rates, but the short-order of the system has been strengthened at the relatively low cooling rate (4×1011K/s). The Ni3Al also becomes the glass state at the relatively high cooling rate (4×1013K/s), but crystallizes out at the relatively low cooling rate (4×1011K/s). At the same cooling rate (4×1011K/s), the Ni3Al melts of which Al is more than Ni crystallize out much easier than the Al3Ni melts.