合金相的“团簇+连接原子”模型与成分设计  

A cluster-plus-glue-atom model for composition design of complex alloys

作　　者：董闯[1,2] 羌建兵[1] 袁亮[1] 王清[1] 王英敏[1] 

机构地区：[1]大连理工大学材料科学与工程学院,大连116024 [2]大连理工大学三束材料改性教育部重点实验室,大连116024

出　　处：《中国有色金属学报》2011年第10期2502-2510,共9页The Chinese Journal of Nonferrous Metals

基　　金：国家重点基础研究计划资助项目(2007CB613902);国家自然科学基金资助项目(50901012;51041011);教育部科学技术研究重点项目资助(707015)

摘　　要：以最近邻配位多面体为基元描述复杂合金相的结构特征,总结出合金相的常见团簇类型,并建立了合金相的"团簇+连接原子"模型。以此为基础解析准晶和非晶合金为代表的团簇合金的结构与团簇成分式特征,提出复杂合金相成分设计的团簇式方法,并以块体非晶合金和稳定固溶体合金为例说明多组元合金相团簇成分式的建立与运用过程以及团簇基元及连接原子种类与数目的确定原则。前期研究工作表明,基于"团簇+连接原子"模型的团簇成分式方法为多元复杂合金相定量设计提供了新的有效途径。A ＂cluster-plus-glue-atom＂ model for description of the structures of complex metallic alloys was proposed.The model atomic clusters were referred to be as the basic first coordination polyhedra of the structures having the point symmetries of cuboctahedral,trigonal prismatical,Archimedean quadrangular anti-prismatical or icosahedral.The compositions of the atomic clusters were derived from a structure sharing consideration.The glue atoms were viewed to be as an interstitial-like structure component,the nature and the number of which were determined by the structural stability principles.Accordingly,the salient structure and composition features of quasicrystals,bulk metallic glasses and multicomponent solid solution alloys were illustrated with the resultant cluster formula.The present ＂cluster-plus-glue-atom＂ model was expected to be applicable for the composition design of complex metallic alloys in a quantitative manner.

关 键 词：“团簇+连接原子”模型 合金成分设计 团簇式 块体非晶合金 固溶体 

分 类 号：TG139.8[一般工业技术—材料科学与工程]