Molecular dynamics for cooling rate dependence of solidification of aluminum nitride

K Liang and F Dong and G Wu and S Liu, MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, 121, 105340 (2021).

DOI: 10.1016/j.mssp.2020.105340

The solidification process of aluminum nitride was investigated by molecular dynamics simulation. It was observed that crystals started to form when the temperature was cooled down to 1650 K at the cooling rates of 0.5 K/ps, 1 K/ps and 3 K/ps and amorphous structure was formed at the cooling rates of 4 K/ps, 5 K/ps and 10 K/ps. The Voronoi polyhedron of < 2 3 0 0 > and < 2 2 2 0 > reached their maxima at the cooling rate of 1 K/ps and 5 K/ps respectively. A relative lower cooling rate facilitated the formation of crystal and when the cooling rate was as low as 0.5 K/ps, the cubic diamond structure was inhibited. The hexagonal diamond and cubic diamond structure content achieved the maxima at the cooling rates of 0.5 K/ps and 1 K/ps respectively.

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