Molecular dynamics for cooling rate dependence of solidification of aluminum nitride. (January 2021)

• Record Type: Journal Article
• Authors: Liang, Kang; Dong, Fang; Wu, Gai; Liu, Sheng
• Is Part Of: Materials science in semiconductor processing. Volume 121(2021)
• Publication Date: 2021-01
• Subjects: Aluminum nitride -- Solidification -- Molecular dynamics; Semiconductors -- Periodicals; Integrated circuits -- Materials -- Periodicals; Semiconducteurs -- Périodiques; Circuits intégrés -- Matériaux -- Périodiques; Electronic journals; 621.38152
• DOI: 10.1016/j.mssp.2020.105340
• Languages: English
• ISSNs: 1369-8001

Abstract

Abstract: 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. Highlights: 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. Amorphous structure was formed at the cooling rates of 5 K/ps, 10 K/ps and 50 K/ps. 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. Cubic diamond structure was inhibited when the cooling rate was as low as 0.5 K/ps.