| Calculation of free energy of Al-Cu-Li alloy under electric field |
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| 作者姓名： | 张建军 王永欣 陈铮 刘兵 |
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| 作者单位： | [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 |
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| 基金项目： | 国家自然科学基金;陕西省自然科学基金 |
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| 摘 要： | 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.
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| 关 键 词： | 电场 托马斯-费尔米模型 铝铜锂合金 计算方法 |
| 收稿时间： | 13 September 2006 |
| 修稿时间： | 2006-09-132007-01-10 |
Calculation of free energy of Al-Cu-Li alloy under electric field |
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| ZHANG Jian-jun,WANG Yong-xin,CHEN Zheng,LIU Bing.Calculation of free energy of Al-Cu-Li alloy under electric field[J].Transactions of Nonferrous Metals Society of China,2007,17(3):575-580. |
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| Authors: | ZHANG Jian-jun WANG Yong-xin CHEN Zheng LIU Bing |
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| Affiliation: | 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 |
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| 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. |
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| Keywords: | free energy electric field Thomas-Fermi model Al-Cu-Li alloy |
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