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Fe2B相价电子结构及其本质脆性
引用本文:李木森,傅绍丽,徐万东,张瑞林,余瑞璜. Fe2B相价电子结构及其本质脆性[J]. 金属学报, 1995, 31(5): 201-208
作者姓名:李木森  傅绍丽  徐万东  张瑞林  余瑞璜
作者单位:山东工业大学,天津大学,吉林大学
摘    要:根据固体与分子经济电子理论对Fe2B相的价电子结构进行了定量分析,通过键距差(Bond Length Difference)方法计算了Fe2B晶体配位团各键上的共价电子数,结果表明,沿(220位向分布的Fe-Fe原子键最强,其共价电子数nA=0.3852,键能EA-15.7372kJ/mol;沿(002)位向分布的B0B原子键较弱,其共价电子数nD=0.1392,键能ED=4.5052kJ/mol

关 键 词:金属 Fe2B相 价电子结构 本质脆性 渗硼
收稿时间:1995-05-18
修稿时间:1995-05-18

VALENCE ELECTRON STRUCTURE OF Fe_2B PHASE AND ITS EIGEN-BRITTLENESS
LI Musen,FU Shaoli. XU Wandong,ZHANG Ruilin. YU Ruihuang. VALENCE ELECTRON STRUCTURE OF Fe_2B PHASE AND ITS EIGEN-BRITTLENESS[J]. Acta Metallurgica Sinica, 1995, 31(5): 201-208
Authors:LI Musen  FU Shaoli. XU Wandong  ZHANG Ruilin. YU Ruihuang
Affiliation:LI Musen,FU Shaoli(Shandong University of Technology,Jinan ). XU Wandong(Tianjin University,Mianjin ),ZHANG Ruilin. YU Ruihuang(Jilin University,Changchun )
Abstract:The valence electron structure of Fe_2B phase was studied on the basis of Yu's empirical electron theory of solids and molecules.The values of valence electrons on every bond in an atomic coordinate cluster were calculated by the method of bond length difference(BLD). The results showed that the bonds between Fe-Fe atoms along (220] direction were strongest, of which the value of valence electrons n_A=0.3852 and the bond energy E_A = 1 5.7372 kJ / mol, The bonds between B-B atoms along [002] direction were weaker, of which n_D = 0. 1 392 and E_D = 4.5052 kJ/ mol. A space bond network of Fe_2B crystal was built,so the cause of the eigen-brittleness could be translated by a heterogeneity of the bond distribution. Comparing experimental results to theoretical analysis, it came to the conclusion that there was a conformability between them.
Keywords:Fe_2B phase   valence electron structure   eigen-brittleness
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