【摘要】 运用固体经验电子理论 (EET) ,对掺微量Sc的Al-Mg合金的价电子结构进行计算。结果表明 :在合金熔体中Sc与Al原子存在强的结合倾向 ,易形成粗大的Al3Sc颗粒 ,起非匀质形核细化晶粒作用 ;在合金凝固过程中 ,形成Al Sc偏聚区 ,析出细小弥散的Al3Sc颗粒 ,增强了合金基体和晶界的共价键络 ,使合金的硬度、强度和晶粒热稳定性都得到提高更多还原

【Abstract】 The valence electron structures of Al Mg alloy with minor Sc were analyzed based on the “Empirical Electronic Theory in solid” (EET). The results show that there is a strong combined tendency between Sc and Al atoms in melt during solidification, and easily form the coarse Al 3Sc particles, act as a heterogeneous nucleation refinement. During solidification of alloy, the strong interaction between Sc and Al atoms results in forming the zone of Al Sc segregation, precipitating the dispersion refining Al 3Sc particles during homogenization, so strengthen the covalence bond in bulk and interface of alloy, and enhancing the hardness, intensity and thermal stability of alloy.更多还原