Abstract: A simulation study was performed for the effects of different cooling rates on microstructure during solidification of liquid GaAs by means of molecular dynamics method. Through the pair distribution function, the average coordination number, the bond angle distribution function, the dihedral angle distribution and visualization method were used to analyze the variations of microstructure during the solidification process. Results show that part of the As atoms converged and formed γ-As(simple cubic structure As8), when the cooling rate is 1×1010 K/s and 2×1010 K/s, the Ga enrichment area are mainly composed of zinc-blende and wurtzite crystal structure; when the cooling rate is higher than 5×1010 K/s, the Ga enrichment area are mainly formed of amorphous structure to give priority to the structure of Ga-As-Ga and Ga-Ga-Ga ternary ring.
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2018, Vol. 32 
