| 镁偏析对铝合金晶界性能影响的计算机模拟 |
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| 引用本文： | 刘伟杰,张宝金.镁偏析对铝合金晶界性能影响的计算机模拟[J].中国有色金属学报,2000,10(4):476-479. |
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| 作者姓名： | 刘伟杰 张宝金 |
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| 作者单位： | 沈阳大学师范学院!沈阳110015(刘伟杰)，东北大学理学院(张宝金) |
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| 摘 要： | 采用嵌入原子法对铝晶界上Mg的偏析性质及其对晶界性能的影响进行了计算机模拟。结果表明 ,Mg的晶界偏析具有自发性 ,并且降低基体的电荷密度和空位形成能 ,从而导致晶界脆化。
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| 关 键 词： | 铝合金 晶界偏析 嵌入原子方法 计算机模拟 |
Computer simulation of effects of Mg segregation on properties of Al grain boundary |
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| LIU Wei jie ,ZHANG Bao jin.Computer simulation of effects of Mg segregation on properties of Al grain boundary[J].The Chinese Journal of Nonferrous Metals,2000,10(4):476-479. |
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| Authors: | LIU Wei jie ZHANG Bao jin |
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| Affiliation: | LIU Wei jie 1,ZHANG Bao jin 2 |
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| Abstract: | The characteristics of grain boundary segregation of Mg in Al alloy and its effects on the grain boundary properties have been simulated by computer based on the embedded atom method. The simulation results can be summarized as follows: the grain boundary segregation of Mg in Al alloy is a spontaneous behavior, the charge density between Al atoms and the vacancy formation energy at grain boundaries would be lowered while Mg segregated in grain boundaries which leads to the grain boundary brittleness of Al alloy. |
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| Keywords: | aluminum alloy grain boundary segregation embedded atom method computer simulation |
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