镁偏析对铝合金晶界性能影响的计算机模拟

来源期刊：中国有色金属学报2000年第4期

论文作者：刘伟杰 张宝金

文章页码：476 - 479

关键词：铝合金； 晶界偏析； 嵌入原子方法；计算机模拟

Key words：aluminum alloy； grain-boundary segregation； embedded-atom method； computer simulation

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。

Abstract: The characteristics of grain-boundary segregation of Mg in Al alloy and its effectson 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 chargedensity 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.