以第1代镍基单晶合金CMSX-2、第2代合金CMSX-4和第3代合金CMSX-10为研究对象,利用固体与分子经验电子理论(EET)计算3种合金的电子结构参数,在理论上探究镍基合金承温能力提高的本质原因.研究结果表明:CMSX-2、CMSX-4、CMSX-10合金γ与γ'相最强共价键上共价电子对数nA的统计值nA、原子状态组数σN以及界面原子状态数σ的数值依次增加;γ-Me/Ni界面△ρ''的数值依次减小,γ'-Me/Ni界面Δρ'的数值依次增加;合金的承温能力与合金特征相的共价电子对数、原子状态组数及界面电子密度差密切相关.
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