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Computer simulation of effects of Mg segregation on properties of Al grain boundary

LIU Wei jie 1, ZHANG Bao jin 2 (1. Teachers College, Shenyang University, Shenyang 110015, P.R.China; 2. College of Sciences, Northeastern University, Shenyang 110006, P.R.China)  
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.
【CateGory Index】: TG13
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