合金γ-TiAl价电子结构的计算及其力学性能  

Calculation of Valence Electron Structures in Alloying γ-TiAl and Its Mechanical Properties

作　　者：刘伟东[1] 刘志林[1] 屈华[1] 

机构地区：[1]辽宁工学院,辽宁锦州121001

出　　处：《稀有金属材料与工程》2003年第11期902-906,共5页Rare Metal Materials and Engineering

摘　　要：利用固体与分子经验电子理论计算了合金γ-TiAl及γ-TiAl、α-Ti、β-Ti、α2-Ti3Al的价电子结构;利用价电子结构给出的信息-相结构因子σN、F、ρLV、ρCV和键络的空间分布nα,讨论了γ-TiAl、合金γ-TiAl的价电子结构及其与力学性能的关系,分析了合金元素的合金化行为,提出了改善γ合金力学性能的有效途径。The valence electron structures of γ-TiAl, alloying γ-TiAl, α-Ti, β-Ti, α2-Ti3Al are calculated with the empirical electron theory of solid and molecule. The phase structure factors σN, total bond-forming ability F, lattice electron density ρvL, and covalent electron density ρvc, and the space distribution of covalent electron pairs nalpha; on the bonds, which can characterize the mechanical properties of alloying phase, are used to discuss the valence electron structures and mechanical properties of γ-TiAl. The alloying behaviors of alloying elements are analyzed. The effective method can be used to improve the mechanical properties of γ-TiAl base alloys.

关 键 词：合金 γ—TiAl 价电子结构 相结构因子 力学性能 

分 类 号：TG111.1[金属学及工艺—物理冶金]