title: Composition design for Laves phase-related body-centered cubic-V solid solution alloys with large hydrogen storage capacities.
abstract: This paper analyzes the characteristics of alloy compositions with large hydrogen storage capacities in Laves phase-related body-centered cubic (bcc) solid solution alloy systems using the cluster line approach. Since a dense-packed icosahedral cluster A(6)B(7) characterizes the local structure of AB(2) Laves phases, in an A-B-C ternary system, such as Ti-Cr (Mn, Fe)-V, where A-B forms AB(2) Laves phases while A-C and B-C tend to form solid solutions, a cluster line A(6)B(7)-C is constructed by linking A(6)B(7) to C. The alloy compositions with large hydrogen storage capacities are generally located near this line and are approximately expressed with the cluster-plus-glue-atom model. The cluster line alloys (Ti(6)Cr(7))(100-x)V(x) (x = 2.5-70 at.%) exhibit different structures and hence different hydrogen storage capacities with increasing V content. The alloys (Ti(6)Cr(7))(95)V(5) and Ti(30)Cr(40)V(30) with bcc solid solution structure satisfy the cluster-plus-glue-atom model.
authors.affiliation: State Key Laboratory of Materials Modification, Dalian University of Technology, Dalian 116024, People's Republic of China.
authors.forename: H B
authors.initials: HB
authors.lastname: Wang
authors.forename: Q
authors.initials: Q
authors.lastname: Wang
authors.forename: C
authors.initials: C
authors.lastname: Dong
authors.forename: L
authors.initials: L
authors.lastname: Yuan
authors.forename: F
authors.initials: F
authors.lastname: Xu
authors.forename: L X
authors.initials: LX
authors.lastname: Sun