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Mg_(17)Al_(12)相电子结构计算与键络分析
Bond Network Analysis and Calculation of Valence Electron Structure of Mg_(17)Al_(12) Phase

作  者: ; ; ; ; ; ; ;

机构地区: 辽宁工学院材料与化学工程学院

出  处: 《辽宁工学院学报》 2006年第1期49-52,共4页

摘  要: 基于EET理论,计算了Mg-Al系合金中主要的强化相γ-Mg17Al12的价电子结构,分析了其键络空间分布。Mg17Al12空间键络由Al-Al原子集团主键络、Al-MgIII次键络和Al-MgII、Al-MgI弱键络及MgII-MgIII层状键络组成,其中Al-MgIII原子形成的弱键G是整个键络的薄弱环节。Mg17Al12晶内、晶界弥散析出,钉扎位错运动,阻碍晶界滑移传递的强化作用主要依靠Al-Al原子集团主键络。通过合金化增强Mg17Al12弱键G是改善其热稳定性,提高Mg-Al基合金工作温度的有效途径。 The valence electron structure and the space distribution of covalent bond of the main strengthening phase Mg17Al2 in magnesium aluminum alloy were calculated, based on EET theory. The space bond branch of Mg17Al2 was composed of the main bond branch of the Al-Al atomic group, the Al-MgⅢ secondary bond branch, the Al-MgⅡ and Al-MgⅠ weak bond branch and the MgⅡ-MgⅢ laminar bong branch after analyzing, hereinto the weak bond G which was composed of the AI-MgⅢ atom, was the bottleneck of the whole space bond branch. It was the Mg17Al12 diffusing precipitated on the intra crystalline and the crystal boundary that anchored the movement of the dislocation and hindered the slipping of the crystal boundary. This kind of the strengthening effect mainly depended on the main bond branch of Al-Al atomic group. To enhance the weak bond G by the method of alloying was an effective path to improve the thermal stability and enhance the working temperature of the Mg-Al alloy.

关 键 词: 键络 析出强化 热稳定性

领  域: [金属学及工艺] [一般工业技术] [金属学及工艺]

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