MOLECULAR DYNAMICS SIMULATIONS OF DIFFUSION PROPERTIES OF Cu IN SUPERCOOLED LIQUID AND AMORPHOUS STATE

Acta Metall Sin

2004, Vol. 40

Issue (7): 731-735 DOI:

Research Articles

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MOLECULAR DYNAMICS SIMULATIONS OF DIFFUSION PROPERTIES OF Cu IN SUPERCOOLED LIQUID AND AMORPHOUS STATE

CHEN Fangfang; ZHANG Haifeng; HU Zhuangqi

Shenyang National Laboratory for Materials Science; Institute of Metal Research; The Chinese Academy of Sciences; Shenyang 110016

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CHEN Fangfang; ZHANG Haifeng; HU Zhuangqi. MOLECULAR DYNAMICS SIMULATIONS OF DIFFUSION PROPERTIES OF Cu IN SUPERCOOLED LIQUID AND AMORPHOUS STATE. Acta Metall Sin, 2004, 40(7): 731-735 .

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Abstract Molecular dynamics (MD) simulations were used to study the diffusion activities of Cu atoms in supercooled state and amorphous state. The embedded atomic (EAM) potential was selected as many--body interaction. Using the mean square displacement (MSD), the diffusion properties of Cu atoms were investigated during relaxation. The transformations of microstructure feature were pursued by means of pair correlation function and pair analysis technique. The calculated results indicate that the diffusion of atoms plays an important role on the crystallization of liquid and amorphous Cu.

Key words: molecular dynamics diffusion supercooled state

Received: 15 July 2003

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TG139.8

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https://www.ams.org.cn/EN/ OR https://www.ams.org.cn/EN/Y2004/V40/I7/731

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