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《Ordnance Material Science and Engineering》 2009-05
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Study on the valence electron theory for the effects of V on Al_(12)Fe_3Si

WANG Xinxin,LIU Weidong,QU Hua,CHEN Chao(College of Materials and Chemical Engineering,Liaoning Institute of Technology,Jinzhou 121001,China)  
According to the empirical electron theory of solid and molecule,the effects of V on the valence electron structure of Al12Fe3Si,its precipitation behavior,and properties are researched.The calculation results show that the number of covalent electron pairs nA of Al12Fe3Si is 0.830 3,the nA values of Al12(Fe,V)3Si with different Fe/V ratios are between 0.736 7 and 0.770 0,in other words,with the addition of V,the nA value of Al12Fe3Si decreases,the amplitude contractions are between 7% and 11%.The results also show that the σN values of Al12(Fe,V)3Si are between 1 083 196 and 1 968 300,and are increased by two orders of magnitude as compared to the σN value of Al12Fe3Si with the σN value of 19 683.The addition of V lets atoms which formed Al12Fe3Si change in a large scope of valence to adapt to changes of external conditions.Thus the stability increases,and the speed of coarsening slows up.By calculating the bond-forming ability F,it can be found that the F value of Al12Fe3Si is 637.23,and that of Al12(Fe,V)3Si are between 592.71 and 599.67.The addition of V is beneficial to the precipitation of Al12(Fe,V)3Si.The greater the amount of addition,the better it is for dispersion separation by crystallization.
【Fund】: 辽宁省教育厅项目(05L185);; 辽宁省自然科学基金项目(20031083)联合资助
【CateGory Index】: TG111.1
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