【摘要】 运用固体经验电子理论(EET),对掺微量Sc和Zr的Al-Mg合金的价电子结构进行计算。结果表明:Zr、Sc与Al原子存在强烈的相互作用,形成Al-Zr、Al-Sc、Al-Zr-Sc偏聚区。Al-Zr-Sc原子的强烈偏聚易形成Al3(ZrxSc1-x)复合相粒子,对基体晶粒起到强烈的晶粒细化作用。更多还原

【Abstract】 The valence electron structures of Al-Mg alloy with minor Sc and Zr were analyzed according to the Empirical Electronic Theory in solid and molecules (EET) .The results showed that the strong interaction of Al with Zr and Sc, which leads to the behavior of Al-Zr segregation, Al-Sc segregation and Al-Zr-Sc segregation, promoted the precipitations of A13 (ZrxSc1-x) phases, and could produced the remarkable refinement in the grain size of Al-Mg alloys.更多还原