【摘要】 对Al-Mg-Si合金中主要析出相β(Mg2Si)以及纯硅晶胞的键电子密度计算,结果表明硅晶胞中最强的Si-Si键nA比β(Mg2Si)相的Mg-Si最强键nA要强2倍,相应的最强键密度ρ也大2倍,这是影响Mg2Si颗粒的生长以及合金的硬度和强度等力学性能的重要原因.更多还原

【Abstract】 Through the calculation of the electronic bonding density of the main equilibrium phase β(Mg2Si)and pure Si cell,the results show that the strongest bond nA in Si cell is greater than that in Mg2Si cell in two times,and the ρ(electronic bonding density) in the Si cell is also greater two times than that in the Mg2Si cell.These are the main reason that influences the growth of grain of Mg2Si and the mechanical property of alloy such as hardness and intensity.更多还原