【摘要】 对Al-Mg -Si合金中主要析出相β(Mg2 Si)以及纯硅晶胞的键电子密度计算 ,表明硅晶胞中最强的Si-Si键nA 比β(Mg2 Si)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主要原因更多还原

【Abstract】 Through the calculation of the electronic bonding density of the main equilibrium phase β（Mg₂Si）and pure Si cell, the results show thatthe strongest bond n_A in Si cell is more than three times of that in Mg₂Si cell, and the ρ （ electronic bonding density） in the Si cell is also more than three times of 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