Abstract
This paper analyzes the characteristics of alloy compositions with large hydrogen storagecapacities in Laves phase-related body-centered cubic (bcc) solid solution alloysystems using the cluster line approach. Since a dense-packed icosahedral clusterA6B7 characterizes thelocal structure of AB2 Laves phases, in an A–B–C ternary system, such as Ti–Cr (Mn, Fe)–V, where A–B formsAB2 Laves phases while A–C and B–C tend to form solid solutions, a cluster lineA6B7–C is constructedby linking A6B7 to C. The alloy compositions with large hydrogen storage capacities are generally located near thisline and are approximately expressed with the cluster-plus-glue-atom model. The cluster line alloys(Ti6Cr7)100−xVx (x = 2.5–70 at.%)exhibit different structures and hence different hydrogen storage capacities with increasing V content. Thealloys (Ti6Cr7)95V5 and Ti30Cr40V30 with bcc solid solution structure satisfy the cluster-plus-glue-atom model.
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