The Simulation of Metal Cu In The Melting and Solidification Process

Acta Metall Sin

2004, Vol. 40

Issue (3): 251-256 DOI:

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The Simulation of Metal Cu In The Melting and Solidification Process

ZHANG Tao; ZHANG Xiaoru; GUAN Li; QI Yuanhua; XU Changye

School of Physics and Micro Electron; Shandong University

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ZHANG Tao; ZHANG Xiaoru; GUAN Li; QI Yuanhua; XU Changye. The Simulation of Metal Cu In The Melting and Solidification Process. Acta Metall Sin, 2004, 40(3): 251-256 .

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Abstract The structure and energy of the system formed by 500 Cu—atoms controlled by the period boundary condition have been studied by the molecular dynamics simulation in the melting and solidification process, in which the FS potential was used. The conclusion obtained is that the melting point of Cu is 1444 K at continuous heating process, the crystallized point is 1014 K at slower cooling rate and the non--crystalline phase will be formed at faster cooling rate. In the end, the influence of the temperature changing rate has been analyzed from a view of the total energy changing, and the relationship between the microstructure and the system total energy has been pointed out.

Key words: molecular dynamics simulation FS potential

Received: 27 January 2003

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	ZHANG Tao
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	GUAN Li
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https://www.ams.org.cn/EN/ OR https://www.ams.org.cn/EN/Y2004/V40/I3/251

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