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。
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.
出处
《中国有色金属学报》
EI
CAS
CSCD
北大核心
2000年第4期476-479,共4页
The Chinese Journal of Nonferrous Metals
关键词
铝合金
晶界性能
计算机模拟
镁偏析
aluminum alloy
grain boundary segregation
embedded atom method
computer simulation
