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论文类型：期刊论文

发表时间：2011-11-01

发表刊物：ACTA PHYSICA SINICA

收录刊物：Scopus、SCIE、PKU、ISTIC

卷号：60

期号：11

ISSN号：1000-3290

关键字：composition design of BCC solid solutions; cluster-plus-glue-atom model; Ti-Cr-V alloys; Ti-Zr-Mo-Nb alloys

摘要：In the present work we propose the cluster-plus-glue-atom model for bcc solid solutions by establishing periodic packing geometries of CN14 basic clusters in bcc lattice to reflect the idealized chemical short-range order near solute atoms. The model is expressed by cluster formula [CN14 cluster](x), where the cluster center is occupied by a solute having the largest negative enthalpy, mixed with the solvent, and other solute atoms serves as glues or substitute for the solvents in cluster shell. The 1: 1 cluster model [cluster] (glue atom), is specially emphasized that guarantees to a maximum extent the glue-cluster nearest neighbors and hence forms a most efficient configuration. This 1 : 1 model is conducible to the design of a low-V hydrogen-storage [Ti(7)Cr(8)]V(1) alloy and a [Mo(1)(Ti,Zr)(14)]Nb(1) alloy with low Young's modulus combined with high strength.