为体现固溶体合金中的溶质原子产生的化学短程序,文章提出了配位数为14的团簇在体心立方(bcc)点阵中的堆垛模式,并建立了基于bcc结构的"团簇+连接原子"结构模型,用团簇成分式[团簇](连接原子)x表述.此模型中,与基体组元具有相对大的负混合焓的溶质原子占据团簇心部,其他原子作为连接或者替代团簇壳层基体原子.1:1结构模型[团簇](连接原子)1由于最大程度地保证了团簇与连接原子的近邻,构成了连接原子最有效的合金化方式.在两个实用bcc固溶体合金体系中,1:1模型指导设计了低V含量的储氢合金[Ti7Cr8]V1和低弹性模量高强度的[Mo(Ti,Zr)14]Nb1合金.
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 (glue)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)1 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 [Ti7Cr8]V1 alloy and a [Mo1(Ti,Zr)14]Nb1 alloy with low Young's modulus combined with high strength.