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Al3Li相反位缺陷演化的微觀相場模擬
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國家自然科學基金（50671084）；中國博士后科學基金（20070420218）和陜西省自然科學基金資助


Microscopic Phase-Field Simulation of Antisite Defect Evolution of Al3Li Phase
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    摘要:

    基于離散格點形式的微擴散方程（Langevin方程），模擬了Al3Li相反位缺陷隨時間的演化特征及隨組元濃度、溫度的變化規(guī)律。結果表明，Al3Li相中主要以Al原子占據(jù)Li位形成的反位缺陷AlLi為主，同時存在少量的Li原子占據(jù)Al位形成的反位缺陷LiAl，2種反位缺陷濃度均隨溫度的升高而上升，且AlLi遠大于LiAl上升速率；隨Li濃度的增加，AlLi濃度緩慢降低，LiAl濃度略有上升，但仍遠遠小于AlLi濃度；濃度變化對反位缺陷的影響遠不及溫度對其影響大。

    Abstract:

    Based on the microscopic phase-field dynamic diffusion equation (the Langevin equation), the effects of concentration and temperature on the antisite defect evolution in Al3Li phase are investigated. The results show that the main antisite defect in Al3Li phase is AlLi, in which the Li sites are taken by Al atoms; there also exists a little amount of LiAl, in which the Al sites are taken by Li atoms. The two antisite defects are all increase with the increase of temperature, and the rising rate for AlLi is far larger than for LiAl. With the increase of Li concentration, the AlLi concentration decreases slowly and the LiAl concentration increases slightly, but still far less than the AlLi concentration . It is found that the effects of temperature on the antisite defects are more obvious than the concentration.

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孫立巖,陳 錚,王永欣,張 靜,苗海川,鐘漢文. Al3Li相反位缺陷演化的微觀相場模擬[J].稀有金屬材料與工程,2009,38(1):86~89.[Sun Liyan, Chen Zheng, Wang Yongxin, Zhang Jing, Miao Haichuan, Zhong Hanwen. Microscopic Phase-Field Simulation of Antisite Defect Evolution of Al3Li Phase[J]. Rare Metal Materials and Engineering,2009,38(1):86~89.]
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  • 收稿日期:2008-01-31
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