Ordered structures in ternary hcp alloys

Abstract

A study of ordered structures in ternary hcp alloys has been undertaken. For this, the hcp structure has been divided into several sublattices and used to generate ordered structures with three types of atoms. Nine ground-state ordered structures have been identified on the basis of maximum or minimum number of AB, BC and CA bonds. Complete crystallographic details about these structures have been worked out. In an alternate approach, ordered ternary structures were obtained by populating 8 types of sublattices (which generate Ti₃Al structure) with three types of atoms. Thus, fortyeight ordered structures were found. For each structure, complete structural details have also been worked out, some of which are reported. Configurational energy of each structure has been calculated using pairwise interactions up to third neighbour distances. To gain insight regarding low-energy structures, some assumptions were utilized to reduce the number of independent parameters in the energy expressions and their consequences explored. Two types of degenerate situations have been observed. One type of degeneracy occurs for ideal hcp alloys where only first neighbour interactions are considered. Another degenerate situation occurs for non-ideal hcp alloys where interactions are considered up to third neighbour distances.