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铁道科学与工程学报

JOURNAL OF RAILWAY SCIENCE AND ENGINEERING

Vol. 17    No. 3    June 2007

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Calculation of free energy of Al-Cu-Li alloy under electric field
ZHANG Jian-jun(张建军)1, WANG Yong-xin(王永欣)1,
CHEN Zheng(陈 铮)1, 2, LIU Bing(刘 兵)1

1. School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an 710072, China;
2. State Key Laboratory of Solidification Processing,
Northwestern Polytechnical University, Xi’an 710072, China

Abstract:Based on Thomas-Fermi model, the interior potential boundary condition with the effect of electric field was defined, the calculation method of free energy for atom cluster under electric field was established. The change of free energy of Al-Cu-Li alloy under the effect of electric field was calculated quantitatively. It is shown that: near the zero electric field and the side of positive electric field, the free energy of Cu4LiAl7 compound at aging temperature 460 K is higher than that of free energy at solid solution temperature 725 K, but once the negative electric field increases to certain degree there will be opposite result. Under the effect of electric field, at 725 K the free energy of Cu4LiAl7 is higher than that of Al-1.0%Li-4.0%Cu, and at 460 K the free energy of compound is lower than that of solid solution. When the copper content in the Al-Li-Cu solid solution is below 5%, under the effect of electric field the free energy of solid solution increases gradually with the increasing of copper content, but the increasing amplitude reduces with the increasing of copper content. The free energy of binary solid solution increases with the addition of lithium, and with the increasing of electric field intensity the free energy margin of two kinds of solid solution becomes bigger.

 

Key words: free energy; electric field; Thomas-Fermi model; Al-Cu-Li alloy

ISSN 1672-7029
CN 43-1423/U

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