应用固体与分子经验电子理论，对快凝（ＲＳ）ＡｌＦｅＶＳｉＮｄ合金中的复杂相Ａｌ８Ｆｅ４Ｎｄ的价电子结构进行了计算分析，并研究了相变温度与键络断开温度的关系·计算显示在Ａｌ８Ｆｅ４Ｎｄ合金相中存在１２种共价键，ＦｅＦｅ，Ａｌ（１）Ａｌ（１），ＦｅＡｌ（２），Ａｌ（１）Ａｌ（２）键属于强键集团，ＦｅＡｌ（１），Ａｌ（２）Ａｌ（２），Ａｌ（１）Ａｌ（２），Ａｌ（１）Ａｌ（１），ＮｄＡｌ（１），ＮｄＡｌ（２）键为次强键，而ＮｄＦｅ，Ａｌ（２）Ａｌ（２）键是弱键·分析表明，Ａｌ８Ｆｅ４Ｎｄ的分解与ＮｄＡｌ（１），ＮｄＡｌ（２）的断键温度有直接的关系，当温度升高至３８０℃后，ＮｄＡｌ（１），ＮｄＡｌ（２）键将全部断裂，直接导致Ａｌ８Ｆｅ４Ｎｄ的分解而发生转变· Based on the empirical electron theory of solid and molecule, the valence electron structures of the complex phase Al8Fe4Nd in the rapidly solidified (RS) AlFeVSiNd alloy were calculated and analyzed, and the phase transition temperature and the key-off temperature The results show that there are 12 kinds of covalent bonds in the phase of Al8Fe4Nd alloy. Fe Fe, Al (1) Al (1) , FeAl (2) and Al (1) Al (2) (1), Al (2) Al (2), Al (1) Al (2) , Al  Al  1, The results show that the decomposition of Al8Fe4Nd is not related to Nd-Al (1), Nd-Al (2) Of the bond breaking temperature has a direct relationship, when the temperature rises to 380 ℃, Nd  Al (1), Nd  Al (2) bond will be all broken, a direct result of A l8Fe4Nd decomposition and change ·