Molecular dynamics simulation of the nucleation in a supercooled liquid Ni3Al

Acta Metall Sin

2008, Vol. 44

Issue (10): 1157-1160 DOI:

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Molecular dynamics simulation of the nucleation in a supercooled liquid Ni3Al

Zhao Yi;;

中国科学院金属研究所

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Zhao Yi. Molecular dynamics simulation of the nucleation in a supercooled liquid Ni3Al. Acta Metall Sin, 2008, 44(10): 1157-1160 .

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Abstract The microstructure evolution of the supercooled Ni3Al melt and the kinetic details of the crystalline nucleation in the melt are investigated using the molecular dynamics simulation method. It is indicated that the non-crystal atomic clusters disappear from the melt before the beginning of the nucleation. The crystal nucleus is a random mixture of FCC structures and HCP structures and shows an irregular shape.

Key words: Molecular dynamic simulation nucleation atomic cluster Ni3Al

Received: 20 March 2008

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